tert-butyl N-{5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate

tert-butyl N-{5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate

Formula: C16H18ClN3O3S

SMILES: CC1=C(NC(=O)C2=CN=C(NC(=O)OC(C)(C)C)S2)C(Cl)=CC=C1

IUPAC: tert-butyl N-{5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}carbamate

InChI: InChI=1S/C16H18ClN3O3S/c1-9-6-5-7-10(17)12(9)19-13(21)11-8-18-14(24-11)20-15(22)23-16(2,3)4/h5-8H,1-4H3,(H,19,21)(H,18,20,22)

Composition: C (52.24%), H (4.93%), Cl (9.64%), N (11.42%), O (13.05%), S (8.72%)

Molar Mass: 367.85

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	367.0757403
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QUVXAYSRBLGINB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.2
Topological Polar Surface Area	80.32
Polarizability	35.59
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H18ClN3O3S		Quote Only