2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide

C15H19N3OS — CID 65349363

IUPAC2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1(CNC(=O)c2ccc3nc(N)sc3c2)CCCC1
InChIInChI=1S/C15H19N3OS/c1-15(6-2-3-7-15)9-17-13(19)10-4-5-11-12(8-10)20-14(16)18-11/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyBSWXQGHOCTUXDI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.19
Rot. Bonds3

About 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 65349363) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID65349363
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1(CNC(=O)c2ccc3nc(N)sc3c2)CCCC1
InChIInChI=1S/C15H19N3OS/c1-15(6-2-3-7-15)9-17-13(19)10-4-5-11-12(8-10)20-14(16)18-11/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyBSWXQGHOCTUXDI-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide 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-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide (CID 65349363) is 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide is CC1(CNC(=O)c2ccc3nc(N)sc3c2)CCCC1.
What is the InChIKey of 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is BSWXQGHOCTUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(6-2-3-7-15)9-17-13(19)10-4-5-11-12(8-10)20-14(16)18-11/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).