5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

C14H10BrN3OS2 — CID 62954057

IUPAC5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(Br)cn3)cc2s1
InChIInChI=1S/C14H10BrN3OS2/c1-20-14-18-10-5-3-9(6-12(10)21-14)17-13(19)11-4-2-8(15)7-16-11/h2-7H,1H3,(H,17,19)
InChIKeyFKLWPTUXSVRTJL-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.43
Rot. Bonds3

About 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (PubChem CID 62954057) has the molecular formula C14H10BrN3OS2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
PubChem CID62954057
Molecular FormulaC14H10BrN3OS2
Molecular Weight380.29 g/mol
Exact Mass378.94
IUPAC Name5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(Br)cn3)cc2s1
InChIInChI=1S/C14H10BrN3OS2/c1-20-14-18-10-5-3-9(6-12(10)21-14)17-13(19)11-4-2-8(15)7-16-11/h2-7H,1H3,(H,17,19)
InChIKeyFKLWPTUXSVRTJL-UHFFFAOYSA-N
XLogP4.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
5-bromo-4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 79987558
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 38039780
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (CID 62954057) is 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is CSc1nc2ccc(NC(=O)c3ccc(Br)cn3)cc2s1.
What is the InChIKey of 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The InChIKey is FKLWPTUXSVRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS2/c1-20-14-18-10-5-3-9(6-12(10)21-14)17-13(19)11-4-2-8(15)7-16-11/h2-7H,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62954057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).