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

C18H15N3O2S — CID 39071356

IUPACN-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H15N3O2S/c1-11(22)12-7-9-14(10-8-12)20-17(23)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeySXDADZOKJIPNRT-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.85
Rot. Bonds4

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

N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071356) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39071356
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H15N3O2S/c1-11(22)12-7-9-14(10-8-12)20-17(23)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeySXDADZOKJIPNRT-UHFFFAOYSA-N
XLogP3.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
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
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide (CID 39071356) is N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SXDADZOKJIPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11(22)12-7-9-14(10-8-12)20-17(23)16-15(21-18(19)24-16)13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,21)(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).