N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H12N2OS3 — CID 42896496

IUPACN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)C1Cc2ccccc2S1
InChIInChI=1S/C16H12N2OS3/c19-15(14-8-10-4-1-2-5-12(10)22-14)18-16-17-11(9-21-16)13-6-3-7-20-13/h1-7,9,14H,8H2,(H,17,18,19)
InChIKeyARDADRGMJIXEIA-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.53
Rot. Bonds3

About N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42896496) has the molecular formula C16H12N2OS3 and a molecular weight of 344.49 g/mol. Its IUPAC name is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42896496
Molecular FormulaC16H12N2OS3
Molecular Weight344.49 g/mol
Exact Mass344.01
IUPAC NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)C1Cc2ccccc2S1
InChIInChI=1S/C16H12N2OS3/c19-15(14-8-10-4-1-2-5-12(10)22-14)18-16-17-11(9-21-16)13-6-3-7-20-13/h1-7,9,14H,8H2,(H,17,18,19)
InChIKeyARDADRGMJIXEIA-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
(3R)-2-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40956655
cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6966078
(1S,2S,3S,4R)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51373083
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56763088
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 18139260
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468

Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42896496) is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)C1Cc2ccccc2S1.
What is the InChIKey of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is ARDADRGMJIXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS3/c19-15(14-8-10-4-1-2-5-12(10)22-14)18-16-17-11(9-21-16)13-6-3-7-20-13/h1-7,9,14H,8H2,(H,17,18,19).
What are the key properties of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 344.49 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42896496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).