N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

C15H17F3N6OS — CID 126889652

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C15H17F3N6OS/c1-9-7-19-13(26-9)23-14(25)24-4-2-10(3-5-24)22-12-6-11(15(16,17)18)20-8-21-12/h6-8,10H,2-5H2,1H3,(H,19,23,25)(H,20,21,22)
InChIKeyXSJCTHCSCWNQTQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.37
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (PubChem CID 126889652) has the molecular formula C15H17F3N6OS and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
PubChem CID126889652
Molecular FormulaC15H17F3N6OS
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1
InChIInChI=1S/C15H17F3N6OS/c1-9-7-19-13(26-9)23-14(25)24-4-2-10(3-5-24)22-12-6-11(15(16,17)18)20-8-21-12/h6-8,10H,2-5H2,1H3,(H,19,23,25)(H,20,21,22)
InChIKeyXSJCTHCSCWNQTQ-UHFFFAOYSA-N
XLogP3.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (CID 126889652) is N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The InChIKey is XSJCTHCSCWNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6OS/c1-9-7-19-13(26-9)23-14(25)24-4-2-10(3-5-24)22-12-6-11(15(16,17)18)20-8-21-12/h6-8,10H,2-5H2,1H3,(H,19,23,25)(H,20,21,22).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 126889652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).