2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C15H17F3N6OS — CID 120812261

IUPAC2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C15H17F3N6OS/c16-15(17,18)11(24-6-4-19-5-7-24)9-22-13(25)10-8-23-14(26-10)12-20-2-1-3-21-12/h1-3,8,11,19H,4-7,9H2,(H,22,25)
InChIKeyUOYGRPPYTXVOEG-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.17
Rot. Bonds5

About 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120812261) has the molecular formula C15H17F3N6OS and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120812261
Molecular FormulaC15H17F3N6OS
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC Name2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C15H17F3N6OS/c16-15(17,18)11(24-6-4-19-5-7-24)9-22-13(25)10-8-23-14(26-10)12-20-2-1-3-21-12/h1-3,8,11,19H,4-7,9H2,(H,22,25)
InChIKeyUOYGRPPYTXVOEG-UHFFFAOYSA-N
XLogP1.17
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 120812261) is 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ncccn2)s1.
What is the InChIKey of 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UOYGRPPYTXVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6OS/c16-15(17,18)11(24-6-4-19-5-7-24)9-22-13(25)10-8-23-14(26-10)12-20-2-1-3-21-12/h1-3,8,11,19H,4-7,9H2,(H,22,25).
What are the key properties of 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120812261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).