2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C17H15N3OS2 — CID 134018376

IUPAC2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C17H15N3OS2/c1-11-5-6-13(22-2)8-14(11)16(21)20-17-19-15(10-23-17)12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBUPPDTAXBWHWTP-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 134018376) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID134018376
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C17H15N3OS2/c1-11-5-6-13(22-2)8-14(11)16(21)20-17-19-15(10-23-17)12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBUPPDTAXBWHWTP-UHFFFAOYSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
2,5-dimethyl-1-(2-methylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 55467738
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90506101
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
4-ethyl-5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 40676303
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 134018376) is 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is CSc1ccc(C)c(C(=O)Nc2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BUPPDTAXBWHWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-11-5-6-13(22-2)8-14(11)16(21)20-17-19-15(10-23-17)12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 134018376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).