N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide

C15H17F3N6OS — CID 167927969

IUPACN,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)n1
InChIInChI=1S/C15H17F3N6OS/c1-9-7-10(12(25)19-2)21-13(20-9)23-3-5-24(6-4-23)14-22-11(8-26-14)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,25)
InChIKeyXQDBPNVODNKJTB-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.95
Rot. Bonds3

About N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide

N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 167927969) has the molecular formula C15H17F3N6OS and a molecular weight of 386.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID167927969
Molecular FormulaC15H17F3N6OS
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC NameN,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)n1
InChIInChI=1S/C15H17F3N6OS/c1-9-7-10(12(25)19-2)21-13(20-9)23-3-5-24(6-4-23)14-22-11(8-26-14)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,25)
InChIKeyXQDBPNVODNKJTB-UHFFFAOYSA-N
XLogP1.95
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 82044208
[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174933563
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 171701843
N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 165434395
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
CID 171327941
6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109323058
2-(4-acetylpiperazin-1-yl)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319468
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide (CID 167927969) is N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)n1.
What is the InChIKey of N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is XQDBPNVODNKJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6OS/c1-9-7-10(12(25)19-2)21-13(20-9)23-3-5-24(6-4-23)14-22-11(8-26-14)15(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,25).
What are the key properties of N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide?
N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167927969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).