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

C16H13N3OS2 — CID 2526359

IUPAC2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N3OS2/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20)
InChIKeyZJARZYJNVSBADE-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.18
Rot. Bonds4

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

2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2526359) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2526359
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N3OS2/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20)
InChIKeyZJARZYJNVSBADE-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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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2526359) is 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZJARZYJNVSBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20).
What are the key properties of 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-methylsulfanyl-N-(4-pyridin-2-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 2-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2526359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).