thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C14H13F3N4OS — CID 56815577

IUPACthiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)11-1-3-18-13(19-11)21-6-4-20(5-7-21)12(22)10-2-8-23-9-10/h1-3,8-9H,4-7H2
InChIKeyOWRVHPRBWROHOW-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.52
Rot. Bonds2

About thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 56815577) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID56815577
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Namethiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)11-1-3-18-13(19-11)21-6-4-20(5-7-21)12(22)10-2-8-23-9-10/h1-3,8-9H,4-7H2
InChIKeyOWRVHPRBWROHOW-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 2810984
(4-Propan-2-ylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53514204
(4-Ethylpyrimidin-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814043
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}thiophene-3-carboxamide
CID 91631466
4-[4-(Thiophene-2-carbonyl)piperazin-1-YL]-6-(trifluoromethyl)pyrimidine
CID 91631530
3-Thienyl{4-[6-(trifluoromethyl)-4-pyrimidinyl]piperazino}methanone
CID 91631554
2-(Thiophen-3-yl)-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 91631562
4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881076
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}thiophene-3-carboxamide
CID 49687694
N-[2-(Pyrrolidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164631
N-[2-(Piperidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164680
(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(thiophen-3-yl)methanone
CID 71805749

Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 56815577) is thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is O=C(c1ccsc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is OWRVHPRBWROHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c15-14(16,17)11-1-3-18-13(19-11)21-6-4-20(5-7-21)12(22)10-2-8-23-9-10/h1-3,8-9H,4-7H2.
What are the key properties of thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 342.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56815577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).