piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone

C14H15F3N6OS — CID 167786805

IUPACpiperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2csc(C(F)(F)F)n2)nc1)N1CCNCC1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)12-22-10(8-25-12)7-21-13-19-5-9(6-20-13)11(24)23-3-1-18-2-4-23/h5-6,8,18H,1-4,7H2,(H,19,20,21)
InChIKeyKLPXOTJAZVQZFL-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.61
Rot. Bonds4

About piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone

piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone (PubChem CID 167786805) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone
PubChem CID167786805
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Namepiperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2csc(C(F)(F)F)n2)nc1)N1CCNCC1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)12-22-10(8-25-12)7-21-13-19-5-9(6-20-13)11(24)23-3-1-18-2-4-23/h5-6,8,18H,1-4,7H2,(H,19,20,21)
InChIKeyKLPXOTJAZVQZFL-UHFFFAOYSA-N
XLogP1.61
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10894788, Example 100
CID 151770511
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56815620
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56815621
(4-Pyrimidin-2-ylpiperazin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038076
2-(ethylamino)-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}-5-pyrimidinecarboxamide
CID 72892964
2-(ethylamino)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72925419
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-(ethylamino)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72938924
N-(4,4-difluorocyclohexyl)-2-[2-methyl-1-(pyrimidine-5-carbonylamino)propyl]-1,3-thiazole-4-carboxamide
CID 137643314
N-(2-amino-2-oxoethyl)-2-(pyrimidin-2-ylamino)thiazole-4-carboxamide
CID 49670093
N,2-Dimethyl-N-{[2-(methylamino)pyrimidin-5-YL]methyl}-1,3-thiazole-4-carboxamide
CID 50948058

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone (CID 167786805) is piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2csc(C(F)(F)F)n2)nc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone?
The InChIKey is KLPXOTJAZVQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c15-14(16,17)12-22-10(8-25-12)7-21-13-19-5-9(6-20-13)11(24)23-3-1-18-2-4-23/h5-6,8,18H,1-4,7H2,(H,19,20,21).
What are the key properties of piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone?
piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone has a molecular weight of 372.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 167786805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).