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

C18H17N3OS — CID 39071376

IUPAC2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-12-8-10-14(11-9-12)20-17(22)16-15(21-18(19)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyOIXDWKHETKGKRY-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.21
Rot. Bonds4

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

2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071376) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39071376
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-12-8-10-14(11-9-12)20-17(22)16-15(21-18(19)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyOIXDWKHETKGKRY-UHFFFAOYSA-N
XLogP4.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.21
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-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-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
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-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 39071376) is 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is CCc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OIXDWKHETKGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-12-8-10-14(11-9-12)20-17(22)16-15(21-18(19)23-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).