N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

C11H10N2OS — CID 1486910

IUPACN-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2OS/c1-12-10(14)9-7-15-11(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)
InChIKeyHXNRBYFXPRNIER-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.17
Rot. Bonds2

About N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 1486910) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID1486910
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC NameN-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2OS/c1-12-10(14)9-7-15-11(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)
InChIKeyHXNRBYFXPRNIER-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 1486910) is N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HXNRBYFXPRNIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-12-10(14)9-7-15-11(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14).
What are the key properties of N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-methyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).