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

C11H10N2OS2 — CID 2115773

IUPAC2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C11H10N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-7H,1H3,(H,12,13,14)
InChIKeyTWDQHPOYPHGISY-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.12
Rot. Bonds3

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

2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2115773) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2115773
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C11H10N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-7H,1H3,(H,12,13,14)
InChIKeyTWDQHPOYPHGISY-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (CID 2115773) is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is CSc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is TWDQHPOYPHGISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 250.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2115773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).