N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide

C21H27F3N2OS — CID 59866217

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCC1=C(C(C)(C)C)SC(NC(=O)c2cc(C(F)(F)F)ccc2C)N1CC1CC1
InChIInChI=1S/C21H27F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14,19H,7-8,11H2,1-5H3,(H,25,27)
InChIKeyQVBSNRBXOOUVBS-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.76
Rot. Bonds4

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 59866217) has the molecular formula C21H27F3N2OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID59866217
Molecular FormulaC21H27F3N2OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCC1=C(C(C)(C)C)SC(NC(=O)c2cc(C(F)(F)F)ccc2C)N1CC1CC1
InChIInChI=1S/C21H27F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14,19H,7-8,11H2,1-5H3,(H,25,27)
InChIKeyQVBSNRBXOOUVBS-UHFFFAOYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)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

2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 133128408
2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 91768311
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 131913825
1-(cyclohexylmethyl)-5-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-2,3-dihydropyrrole-4-carboxamide
CID 70948771
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
3-[1-[2-methyl-5-(trifluoromethyl)benzoyl]piperidin-3-yl]propanoic acid
CID 91795487
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 70919544

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide (CID 59866217) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide is CC1=C(C(C)(C)C)SC(NC(=O)c2cc(C(F)(F)F)ccc2C)N1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is QVBSNRBXOOUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14,19H,7-8,11H2,1-5H3,(H,25,27).
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).