2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C14H12ClN3OS2 — CID 65349581

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(N)sc2c1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3OS2/c1-7(10-4-5-12(15)20-10)17-13(19)8-2-3-9-11(6-8)21-14(16)18-9/h2-7H,1H3,(H2,16,18)(H,17,19)
InChIKeyADZOSSVANMBCDY-UHFFFAOYSA-N
MW337.86 g/mol
LogP4.08
Rot. Bonds3

About 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 65349581) has the molecular formula C14H12ClN3OS2 and a molecular weight of 337.86 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID65349581
Molecular FormulaC14H12ClN3OS2
Molecular Weight337.86 g/mol
Exact Mass337.01
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(N)sc2c1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3OS2/c1-7(10-4-5-12(15)20-10)17-13(19)8-2-3-9-11(6-8)21-14(16)18-9/h2-7H,1H3,(H2,16,18)(H,17,19)
InChIKeyADZOSSVANMBCDY-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(1-thiophen-2-ylpropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349627
(2R)-2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825033
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349221
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 65349581) is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is CC(NC(=O)c1ccc2nc(N)sc2c1)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ADZOSSVANMBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS2/c1-7(10-4-5-12(15)20-10)17-13(19)8-2-3-9-11(6-8)21-14(16)18-9/h2-7H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 337.86 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).