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

C16H14N2O2S2 — CID 91817346

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10(19)14-5-3-12(22-14)6-7-17-16(20)11-2-4-13-15(8-11)21-9-18-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyYRGSMILGRJWUKP-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.53
Rot. Bonds5

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

N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 91817346) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID91817346
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(CCNC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10(19)14-5-3-12(22-14)6-7-17-16(20)11-2-4-13-15(8-11)21-9-18-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyYRGSMILGRJWUKP-UHFFFAOYSA-N
XLogP3.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
methyl 4-[2-(5-acetylthiophen-2-yl)ethylcarbamoyl]benzoate
CID 91817348
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
N-(3,7-dimethylocta-2,6-dienyl)-1,3-benzothiazole-6-carboxamide
CID 68864330
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 91817323
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-(3-pyrrol-1-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 90500517
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 121120813

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 91817346) is N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is CC(=O)c1ccc(CCNC(=O)c2ccc3ncsc3c2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is YRGSMILGRJWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10(19)14-5-3-12(22-14)6-7-17-16(20)11-2-4-13-15(8-11)21-9-18-13/h2-5,8-9H,6-7H2,1H3,(H,17,20).
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 91817346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).