4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 4876515

IUPAC4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(15-9-5-3-6-10-15)20-19-21-14(2)17(24-19)18(23)22-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,21)(H,22,23)
InChIKeySJSFWGSDXSCXNK-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.88
Rot. Bonds5

About 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide

4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 4876515) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide
PubChem CID4876515
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(15-9-5-3-6-10-15)20-19-21-14(2)17(24-19)18(23)22-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,21)(H,22,23)
InChIKeySJSFWGSDXSCXNK-UHFFFAOYSA-N
XLogP4.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide (CID 4876515) is 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NC(C)c2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is SJSFWGSDXSCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(15-9-5-3-6-10-15)20-19-21-14(2)17(24-19)18(23)22-16-11-7-4-8-12-16/h3-13H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide?
4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-(1-phenylethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4876515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).