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

C23H23N3O2S — CID 24683154

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cs2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-15-3-7-18(8-4-15)23-26-20(14-29-23)22(28)24-13-16-5-11-19(12-6-16)25-21(27)17-9-10-17/h3-8,11-12,14,17H,2,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyHSADEUGTBGTQOD-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.65
Rot. Bonds7

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

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24683154) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24683154
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cs2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-15-3-7-18(8-4-15)23-26-20(14-29-23)22(28)24-13-16-5-11-19(12-6-16)25-21(27)17-9-10-17/h3-8,11-12,14,17H,2,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyHSADEUGTBGTQOD-UHFFFAOYSA-N
XLogP4.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 24683154) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cs2)cc1.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HSADEUGTBGTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-15-3-7-18(8-4-15)23-26-20(14-29-23)22(28)24-13-16-5-11-19(12-6-16)25-21(27)17-9-10-17/h3-8,11-12,14,17H,2,9-10,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24683154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).