5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide

C16H14N2O2S2 — CID 39996788

IUPAC5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10(19)12-6-7-14(21-12)16(20)17-9-8-15-18-11-4-2-3-5-13(11)22-15/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyIJGFWMRPTOVMOR-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.53
Rot. Bonds5

About 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide

5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 39996788) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID39996788
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCc2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10(19)12-6-7-14(21-12)16(20)17-9-8-15-18-11-4-2-3-5-13(11)22-15/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyIJGFWMRPTOVMOR-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-(1,3-benzothiazol-2-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 91408055
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51313017
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 119692188

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide (CID 39996788) is 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCCc2nc3ccccc3s2)s1.
What is the InChIKey of 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IJGFWMRPTOVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10(19)12-6-7-14(21-12)16(20)17-9-8-15-18-11-4-2-3-5-13(11)22-15/h2-7H,8-9H2,1H3,(H,17,20).
What are the key properties of 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-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 5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 39996788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).