(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

C11H14N2O3S — CID 11528967

IUPAC(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
SMILESCCC(=O)Nc1nc2c(s1)C[C@H](C(=O)O)CC2
InChIInChI=1S/C11H14N2O3S/c1-2-9(14)13-11-12-7-4-3-6(10(15)16)5-8(7)17-11/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)/t6-/m1/s1
InChIKeyHMWSDSXKIAJHFQ-ZCFIWIBFSA-N
MW254.31 g/mol
LogP1.68
Rot. Bonds3

About (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid (PubChem CID 11528967) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
PubChem CID11528967
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
SMILESCCC(=O)Nc1nc2c(s1)C[C@H](C(=O)O)CC2
InChIInChI=1S/C11H14N2O3S/c1-2-9(14)13-11-12-7-4-3-6(10(15)16)5-8(7)17-11/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)/t6-/m1/s1
InChIKeyHMWSDSXKIAJHFQ-ZCFIWIBFSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic 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

ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11630562
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 86313335
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 15101103
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 60596854
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 160641227
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 51101621
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid (CID 11528967) is (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid is CCC(=O)Nc1nc2c(s1)C[C@H](C(=O)O)CC2.
What is the InChIKey of (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is HMWSDSXKIAJHFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-9(14)13-11-12-7-4-3-6(10(15)16)5-8(7)17-11/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)/t6-/m1/s1.
What are the key properties of (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
(6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 11528967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).