2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 39071372

IUPAC2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c1-12(2)13-8-10-15(11-9-13)21-18(23)17-16(22-19(20)24-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,20,22)(H,21,23)
InChIKeySUCJXNVOMOEPJK-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.77
Rot. Bonds4

About 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide

2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 39071372) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID39071372
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c1-12(2)13-8-10-15(11-9-13)21-18(23)17-16(22-19(20)24-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,20,22)(H,21,23)
InChIKeySUCJXNVOMOEPJK-UHFFFAOYSA-N
XLogP4.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 54003940
2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 39115626
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115643
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194626
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
3-amino-5-methyl-6-phenyl-N-[4-[3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 74017665

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 39071372) is 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SUCJXNVOMOEPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12(2)13-8-10-15(11-9-13)21-18(23)17-16(22-19(20)24-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).