(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid

C13H19N3O3S — CID 87189958

IUPAC(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid
SMILESCC(=O)Nc1nc2c(s1)CC(N(C(=O)O)C(C)C)CC2
InChIInChI=1S/C13H19N3O3S/c1-7(2)16(13(18)19)9-4-5-10-11(6-9)20-12(15-10)14-8(3)17/h7,9H,4-6H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyRJZSEEACYINBGP-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.35
Rot. Bonds3

About (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid

(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid (PubChem CID 87189958) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid
PubChem CID87189958
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid
SMILESCC(=O)Nc1nc2c(s1)CC(N(C(=O)O)C(C)C)CC2
InChIInChI=1S/C13H19N3O3S/c1-7(2)16(13(18)19)9-4-5-10-11(6-9)20-12(15-10)14-8(3)17/h7,9H,4-6H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyRJZSEEACYINBGP-UHFFFAOYSA-N
XLogP2.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-[6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 123442999
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 160641227
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-acetamido-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 95588654
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 11528967
2-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 119271168

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid?
The IUPAC name of (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid (CID 87189958) is (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid?
The canonical SMILES for (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid is CC(=O)Nc1nc2c(s1)CC(N(C(=O)O)C(C)C)CC2.
What is the InChIKey of (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid?
The InChIKey is RJZSEEACYINBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-7(2)16(13(18)19)9-4-5-10-11(6-9)20-12(15-10)14-8(3)17/h7,9H,4-6H2,1-3H3,(H,18,19)(H,14,15,17).
What are the key properties of (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid?
(2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid has a molecular weight of 297.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 87189958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).