5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C14H11ClN2O3S2 — CID 7244543

IUPAC5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)s3)sc2cc1OC
InChIInChI=1S/C14H11ClN2O3S2/c1-19-8-5-7-11(6-9(8)20-2)22-14(16-7)17-13(18)10-3-4-12(15)21-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyGBQGUHLWFSXUKE-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.28
Rot. Bonds4

About 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7244543) has the molecular formula C14H11ClN2O3S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7244543
Molecular FormulaC14H11ClN2O3S2
Molecular Weight354.84 g/mol
Exact Mass353.99
IUPAC Name5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)s3)sc2cc1OC
InChIInChI=1S/C14H11ClN2O3S2/c1-19-8-5-7-11(6-9(8)20-2)22-14(16-7)17-13(18)10-3-4-12(15)21-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeyGBQGUHLWFSXUKE-UHFFFAOYSA-N
XLogP4.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43980545
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 41398144
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43980532
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 55464124
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 24600028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7244543) is 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1cc2nc(NC(=O)c3ccc(Cl)s3)sc2cc1OC.
What is the InChIKey of 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GBQGUHLWFSXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S2/c1-19-8-5-7-11(6-9(8)20-2)22-14(16-7)17-13(18)10-3-4-12(15)21-10/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7244543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).