3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

C13H9ClN2OS2 — CID 2523343

IUPAC3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
InChIInChI=1S/C13H9ClN2OS2/c1-7-6-15-13(18-7)16-12(17)11-10(14)8-4-2-3-5-9(8)19-11/h2-6H,1H3,(H,15,16,17)
InChIKeyPETQNGKAFAHVEX-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.57
Rot. Bonds2

About 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 2523343) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID2523343
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
InChIInChI=1S/C13H9ClN2OS2/c1-7-6-15-13(18-7)16-12(17)11-10(14)8-4-2-3-5-9(8)19-11/h2-6H,1H3,(H,15,16,17)
InChIKeyPETQNGKAFAHVEX-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
N-(5-(4-fluorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2180013
N-(5-benzyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 644846
3-chloro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 698273
N-(5-(4-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 726259
3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 767374
3-chloro-N-(5-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 903387
N-(5-(3-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 1113641
Thiophene-2-carboxylic acid [5-(4-methyl-benzyl)-thiazol-2-yl]-amide
CID 1113642
N-(5-(2,5-dichlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2130377
N-(5-(2-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2447649

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 2523343) is 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1.
What is the InChIKey of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is PETQNGKAFAHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c1-7-6-15-13(18-7)16-12(17)11-10(14)8-4-2-3-5-9(8)19-11/h2-6H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 308.82 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2523343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).