2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

C24H22N4O2S — CID 24671584

IUPAC2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)s2)cc1
InChIInChI=1S/C24H22N4O2S/c1-4-16-5-7-18(8-6-16)24-26-15(2)21(31-24)23(30)27-19-11-9-17(10-12-19)20(29)22-25-13-14-28(22)3/h5-14H,4H2,1-3H3,(H,27,30)
InChIKeyVXKWISRXIVKNLM-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.90
Rot. Bonds6

About 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 24671584) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID24671584
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)s2)cc1
InChIInChI=1S/C24H22N4O2S/c1-4-16-5-7-18(8-6-16)24-26-15(2)21(31-24)23(30)27-19-11-9-17(10-12-19)20(29)22-25-13-14-28(22)3/h5-14H,4H2,1-3H3,(H,27,30)
InChIKeyVXKWISRXIVKNLM-UHFFFAOYSA-N
XLogP4.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 56762857
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
2-chloro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71702900

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (CID 24671584) is 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VXKWISRXIVKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-4-16-5-7-18(8-6-16)24-26-15(2)21(31-24)23(30)27-19-11-9-17(10-12-19)20(29)22-25-13-14-28(22)3/h5-14H,4H2,1-3H3,(H,27,30).
What are the key properties of 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).