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

C16H13N3OS2 — CID 22581409

IUPAC4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c1-21-13-4-2-12(3-5-13)15(20)19-16-18-14(10-22-16)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19,20)
InChIKeyQVRPCZIDTUCURD-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.18
Rot. Bonds4

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

4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22581409) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22581409
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c1-21-13-4-2-12(3-5-13)15(20)19-16-18-14(10-22-16)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19,20)
InChIKeyQVRPCZIDTUCURD-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
3-(4-methylsulfanylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5126698
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7266948
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
3-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 18587106
N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 174737343
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 22581409) is 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is CSc1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QVRPCZIDTUCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-21-13-4-2-12(3-5-13)15(20)19-16-18-14(10-22-16)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22581409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).