N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

C18H21F3N4O2S — CID 25052565

IUPACN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H21F3N4O2S/c19-18(20,21)14-3-1-2-4-15(14)22-9-12-5-7-25(8-6-12)17(27)24-16-23-10-13(11-26)28-16/h1-4,10,12,22,26H,5-9,11H2,(H,23,24,27)
InChIKeyKQVHYNGJORPYFC-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.01
Rot. Bonds5

About N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (PubChem CID 25052565) has the molecular formula C18H21F3N4O2S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
PubChem CID25052565
Molecular FormulaC18H21F3N4O2S
Molecular Weight414.45 g/mol
Exact Mass414.13
IUPAC NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H21F3N4O2S/c19-18(20,21)14-3-1-2-4-15(14)22-9-12-5-7-25(8-6-12)17(27)24-16-23-10-13(11-26)28-16/h1-4,10,12,22,26H,5-9,11H2,(H,23,24,27)
InChIKeyKQVHYNGJORPYFC-UHFFFAOYSA-N
XLogP4.01
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-fluoroindolin-1-yl)-N-(5-(hydroxymethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657341
4-(6-fluoroindolin-1-yl)-N-(5-(2-hydroxyethyl)thiazol-2-yl)piperidine-1-carboxamide
CID 71657441
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 145489123
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 163368468
N4-(thiazol-2-yl)-N1-(3-(trifluoromethyl)phenyl)piperidine-1,4-dicarboxamide
CID 49723389
2-[[2-[[Cyclopentylmethyl-[2-(trifluoromethyl)phenyl]carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-2-methylpropanoic acid
CID 25012257
2-[[2-[[Cyclopentylmethyl-[2-(trifluoromethyl)phenyl]carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
CID 25013385
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
CID 25052546
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
CID 25052548
1-(1-(Thiazol-2-yl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25072365
[2-[4-(Trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
CID 57537799
1-[5-(2-Hydroxy-ethyl)-thiazol-2-yl]-3-(3-trifluoromethyl-phenyl)-urea
CID 58265121

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide (CID 25052565) is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is O=C(Nc1ncc(CO)s1)N1CCC(CNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
The InChIKey is KQVHYNGJORPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2S/c19-18(20,21)14-3-1-2-4-15(14)22-9-12-5-7-25(8-6-12)17(27)24-16-23-10-13(11-26)28-16/h1-4,10,12,22,26H,5-9,11H2,(H,23,24,27).
What are the key properties of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide?
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 25052565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).