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

C12H7ClN2OS2 — CID 606795

IUPAC3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H7ClN2OS2/c13-9-7-3-1-2-4-8(7)18-10(9)11(16)15-12-14-5-6-17-12/h1-6H,(H,14,15,16)
InChIKeyLJQWRJURTZQIGQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.26
Rot. Bonds2

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

3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 606795) has the molecular formula C12H7ClN2OS2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID606795
Molecular FormulaC12H7ClN2OS2
Molecular Weight294.79 g/mol
Exact Mass293.97
IUPAC Name3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H7ClN2OS2/c13-9-7-3-1-2-4-8(7)18-10(9)11(16)15-12-14-5-6-17-12/h1-6H,(H,14,15,16)
InChIKeyLJQWRJURTZQIGQ-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 3152639
3-CL-N-(4-((1,3-Thiazol-2-ylamino)sulfonyl)PH)-1-benzothiophene-2-carboxamide
CID 1570183
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 1247663
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 2523343
2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 676855
3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 738526
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
N-(5-(3-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 1113641
2-(methylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 2115773
N-(5-(2-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2447649

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 606795) is 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1nccs1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is LJQWRJURTZQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS2/c13-9-7-3-1-2-4-8(7)18-10(9)11(16)15-12-14-5-6-17-12/h1-6H,(H,14,15,16).
What are the key properties of 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 606795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).