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

C21H21N3O2S — CID 55892921

IUPAC4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-13-22-19(25)15-9-11-17(12-10-15)24-20(26)18-14(2)23-21(27-18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWORJPUVOSCRWDT-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.51
Rot. Bonds6

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

4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55892921) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55892921
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-13-22-19(25)15-9-11-17(12-10-15)24-20(26)18-14(2)23-21(27-18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyWORJPUVOSCRWDT-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121062420
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
ethyl (E)-3-[4-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoate
CID 27054734
3-[[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222870
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 55892921) is 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is CCCNC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WORJPUVOSCRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-13-22-19(25)15-9-11-17(12-10-15)24-20(26)18-14(2)23-21(27-18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55892921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).