3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

C12H6Cl2N2OS2 — CID 767374

IUPAC3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C12H6Cl2N2OS2/c13-6-1-2-7-8(5-6)19-10(9(7)14)11(17)16-12-15-3-4-18-12/h1-5H,(H,15,16,17)
InChIKeyRMBBGYYJTMLZBI-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.92
Rot. Bonds2

About 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 767374) has the molecular formula C12H6Cl2N2OS2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID767374
Molecular FormulaC12H6Cl2N2OS2
Molecular Weight329.23 g/mol
Exact Mass327.93
IUPAC Name3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C12H6Cl2N2OS2/c13-6-1-2-7-8(5-6)19-10(9(7)14)11(17)16-12-15-3-4-18-12/h1-5H,(H,15,16,17)
InChIKeyRMBBGYYJTMLZBI-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.92
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-(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
N-(5-(3-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 1113641
N-(5-(2-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2447649
N-(5-(4-chlorophenyl)thiazol-2-yl)thiophene-2-carboxamide
CID 44578359
2,4-Dichloro-N-(1,3-thiazol-2-yl)benzamide
CID 599535
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2964715
2-Chloro-N-(1,3-thiazol-2-yl)benzamide
CID 587260
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chloro-1-benzothiophene-2-carboxamide
CID 137545073

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 767374) is 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is RMBBGYYJTMLZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS2/c13-6-1-2-7-8(5-6)19-10(9(7)14)11(17)16-12-15-3-4-18-12/h1-5H,(H,15,16,17).
What are the key properties of 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 767374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).