ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate

ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate

CAS: 134136-00-8

Formula: C10H14N2O2S

SMILES: CCOC(=O)C1CCC2=C(C1)SC(N)=N2

IUPAC: ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate

InChI: InChI=1/C10H14N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h6H,2-5H2,1H3,(H2,11,12)

Composition: C (53.08%), H (6.24%), N (12.38%), O (14.14%), S (14.17%)

Molar Mass: 226.29

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	226.077598873
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SEWZIOVTGXEYEZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.19
Topological Polar Surface Area	65.21
Polarizability	22.23
Ring Count	2
Rotatable Bond Count	3

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