2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide

C15H15N3OS2 — CID 65349782

IUPAC2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(NC(=O)c1ccc2nc(N)sc2c1)c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-2-10(12-4-3-7-20-12)17-14(19)9-5-6-11-13(8-9)21-15(16)18-11/h3-8,10H,2H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUYKIPIGRIFCTOS-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349782) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349782
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(NC(=O)c1ccc2nc(N)sc2c1)c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-2-10(12-4-3-7-20-12)17-14(19)9-5-6-11-13(8-9)21-15(16)18-11/h3-8,10H,2H2,1H3,(H2,16,18)(H,17,19)
InChIKeyUYKIPIGRIFCTOS-UHFFFAOYSA-N
XLogP3.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349221
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 65349581
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
(2R)-2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825033
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide (CID 65349782) is 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide is CCC(NC(=O)c1ccc2nc(N)sc2c1)c1cccs1.
What is the InChIKey of 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is UYKIPIGRIFCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-2-10(12-4-3-7-20-12)17-14(19)9-5-6-11-13(8-9)21-15(16)18-11/h3-8,10H,2H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).