2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C18H15N3O2S — CID 577307

IUPAC2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H15N3O2S/c1-12-4-2-3-5-15(12)17(23)20-14-8-6-13(7-9-14)16(22)21-18-19-10-11-24-18/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyHYWCKSHSBGMFFR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.96
Rot. Bonds4

About 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 577307) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID577307
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H15N3O2S/c1-12-4-2-3-5-15(12)17(23)20-14-8-6-13(7-9-14)16(22)21-18-19-10-11-24-18/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyHYWCKSHSBGMFFR-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 577307) is 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is HYWCKSHSBGMFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-4-2-3-5-15(12)17(23)20-14-8-6-13(7-9-14)16(22)21-18-19-10-11-24-18/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 577307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).