4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide

C23H20F3N5OS — CID 58366468

IUPAC4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
SMILESCCCc1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncs4)nn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5OS/c1-3-4-15-7-17(23(24,25)26)10-18(8-15)28-22(32)16-6-5-14(2)20(9-16)31-12-19(29-30-31)21-11-27-13-33-21/h5-13H,3-4H2,1-2H3,(H,28,32)
InChIKeySNRDNWWCSYPLGZ-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.92
Rot. Bonds6

About 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide

4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide (PubChem CID 58366468) has the molecular formula C23H20F3N5OS and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
PubChem CID58366468
Molecular FormulaC23H20F3N5OS
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
SMILESCCCc1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncs4)nn3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N5OS/c1-3-4-15-7-17(23(24,25)26)10-18(8-15)28-22(32)16-6-5-14(2)20(9-16)31-12-19(29-30-31)21-11-27-13-33-21/h5-13H,3-4H2,1-2H3,(H,28,32)
InChIKeySNRDNWWCSYPLGZ-UHFFFAOYSA-N
XLogP5.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 16745819
4-methyl-N-(3-(1-methyl-1H-1,2,3-triazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 54582045
1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethylamino)(thiazol-2-yl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355975
N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392876
3-Methyl-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5093024
N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 124139900
3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167490
3-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-5-yl)benzamide
CID 59432543
3-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432562
US10138241, Example 47
CID 134328573
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(2-pyridin-2-ylethyl)triazol-4-yl]benzamide
CID 149375589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide (CID 58366468) is 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide is CCCc1cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncs4)nn3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?
The InChIKey is SNRDNWWCSYPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5OS/c1-3-4-15-7-17(23(24,25)26)10-18(8-15)28-22(32)16-6-5-14(2)20(9-16)31-12-19(29-30-31)21-11-27-13-33-21/h5-13H,3-4H2,1-2H3,(H,28,32).
What are the key properties of 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide?
4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 58366468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).