2-[(tert-butoxycarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(tert-butoxycarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 302963-94-6

Formula: C10H14N2O4S

SMILES: CC1=C(SC(NC(=O)OC(C)(C)C)=N1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C10H14N2O4S/c1-5-6(7(13)14)17-8(11-5)12-9(15)16-10(2,3)4/h1-4H3,(H,13,14)(H,11,12,15)

Composition: C (46.50%), H (5.46%), N (10.85%), O (24.78%), S (12.41%)

Molar Mass: 258.29

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.067428113
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FHNRXEYKJBDNKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.66
Topological Polar Surface Area	88.52
Polarizability	23.52
Ring Count	1
Rotatable Bond Count	4

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