5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

C20H18N2O2S2 — CID 56661793

IUPAC5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1
InChIInChI=1S/C20H18N2O2S2/c1-12(23)14-6-2-3-7-15(14)18-10-13(11-25-18)19(24)22-20-21-16-8-4-5-9-17(16)26-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22,24)
InChIKeyNGVBLHWNMLIFKI-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.21
Rot. Bonds4

About 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide

5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (PubChem CID 56661793) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
PubChem CID56661793
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESCC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1
InChIInChI=1S/C20H18N2O2S2/c1-12(23)14-6-2-3-7-15(14)18-10-13(11-25-18)19(24)22-20-21-16-8-4-5-9-17(16)26-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22,24)
InChIKeyNGVBLHWNMLIFKI-UHFFFAOYSA-N
XLogP5.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 17191195
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
3,5-diacetamido-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60572213
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-nitrobenzamide
CID 60571613
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (CID 56661793) is 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is CC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1.
What is the InChIKey of 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is NGVBLHWNMLIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-12(23)14-6-2-3-7-15(14)18-10-13(11-25-18)19(24)22-20-21-16-8-4-5-9-17(16)26-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22,24).
What are the key properties of 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 56661793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).