N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

C18H21F3N4OS — CID 145486036

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(CNc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H21F3N4OS/c1-12-11-27-16(23-12)24-17(26)25-8-6-13(7-9-25)10-22-15-5-3-2-4-14(15)18(19,20)21/h2-5,11,13,22H,6-10H2,1H3,(H,23,24,26)
InChIKeyUQJNIPXIEPKZOU-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.83
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (PubChem CID 145486036) has the molecular formula C18H21F3N4OS and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
PubChem CID145486036
Molecular FormulaC18H21F3N4OS
Molecular Weight398.45 g/mol
Exact Mass398.14
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(CNc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H21F3N4OS/c1-12-11-27-16(23-12)24-17(26)25-8-6-13(7-9-25)10-22-15-5-3-2-4-14(15)18(19,20)21/h2-5,11,13,22H,6-10H2,1H3,(H,23,24,26)
InChIKeyUQJNIPXIEPKZOU-UHFFFAOYSA-N
XLogP4.83
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

H3B-120
CID 132355378
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
1-(2,6-Diisopropyl-phenyl)-3-(4-undecyl-thiazol-2-yl)-urea
CID 10527844
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methyl-thiazol-2-yl)-urea
CID 11442162
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
4-(6-fluoroindolin-1-yl)-N-(4-methylthiazol-2-yl)piperidine-1-carboxamide
CID 71657232
4-(2,3-dihydroindol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657335
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657336
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 71657443
4-(6-fluoroindolin-1-yl)-N-(4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 71657445

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (CID 145486036) is N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(CNc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The InChIKey is UQJNIPXIEPKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4OS/c1-12-11-27-16(23-12)24-17(26)25-8-6-13(7-9-25)10-22-15-5-3-2-4-14(15)18(19,20)21/h2-5,11,13,22H,6-10H2,1H3,(H,23,24,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 145486036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).