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

C13H9ClN2OS3 — CID 959048

IUPAC5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1
InChIInChI=1S/C13H9ClN2OS3/c1-18-13-16-8-3-2-7(6-10(8)20-13)15-12(17)9-4-5-11(14)19-9/h2-6H,1H3,(H,15,17)
InChIKeyBFPZYYVAUPOGIT-UHFFFAOYSA-N
MW340.88 g/mol
LogP4.99
Rot. Bonds3

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

5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 959048) has the molecular formula C13H9ClN2OS3 and a molecular weight of 340.88 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID959048
Molecular FormulaC13H9ClN2OS3
Molecular Weight340.88 g/mol
Exact Mass339.96
IUPAC Name5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1
InChIInChI=1S/C13H9ClN2OS3/c1-18-13-16-8-3-2-7(6-10(8)20-13)15-12(17)9-4-5-11(14)19-9/h2-6H,1H3,(H,15,17)
InChIKeyBFPZYYVAUPOGIT-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 7598302
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 2414873
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2729277
5-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 775360
N-(2-methylbenzo[d]thiazol-6-yl)-2-(thiophen-2-yl)acetamide
CID 2086574
3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 2090359
5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide
CID 2112794
5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide
CID 2452036
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 2467706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 959048) is 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is CSc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1.
What is the InChIKey of 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is BFPZYYVAUPOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS3/c1-18-13-16-8-3-2-7(6-10(8)20-13)15-12(17)9-4-5-11(14)19-9/h2-6H,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 340.88 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 959048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).