N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C18H16F3N5OS — CID 56561013

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1nncn1C1CC1
InChIInChI=1S/C18H16F3N5OS/c1-10-15(16(27)22-8-14-25-23-9-26(14)13-6-7-13)28-17(24-10)11-2-4-12(5-3-11)18(19,20)21/h2-5,9,13H,6-8H2,1H3,(H,22,27)
InChIKeyUUOUENRRHYMTKV-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.99
Rot. Bonds5

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 56561013) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID56561013
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1nncn1C1CC1
InChIInChI=1S/C18H16F3N5OS/c1-10-15(16(27)22-8-14-25-23-9-26(14)13-6-7-13)28-17(24-10)11-2-4-12(5-3-11)18(19,20)21/h2-5,9,13H,6-8H2,1H3,(H,22,27)
InChIKeyUUOUENRRHYMTKV-UHFFFAOYSA-N
XLogP3.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylthiazole-5-carboxamide
CID 68495091
N-(2-(5-(2-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 44040556
N-cyclopropyl-4-methyl-N-(pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 53579715
N-(2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 71790863
1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-4-[(5-phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 91909434
N-[1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 72042369
4-methyl-N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide
CID 24959333
2-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24959699
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]-1,3-thiazole-5-carboxamide
CID 24959700
4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 57919781
(S)-2-(3-(4-fluorobenzyl)-5-methyl-2-oxoimidazolidin-1-yl)-4-methyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)thiazole-5-carboxamide
CID 57919784
2-[3-[(3,4-difluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 57919962

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 56561013) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1nncn1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UUOUENRRHYMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c1-10-15(16(27)22-8-14-25-23-9-26(14)13-6-7-13)28-17(24-10)11-2-4-12(5-3-11)18(19,20)21/h2-5,9,13H,6-8H2,1H3,(H,22,27).
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56561013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).