(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C15H14ClF3N4OS — CID 91631645

IUPAC(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4OS/c1-9-20-11(15(17,18)19)8-13(21-9)22-4-6-23(7-5-22)14(24)10-2-3-12(16)25-10/h2-3,8H,4-7H2,1H3
InChIKeyDPGLUFMCJZZAES-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.48
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631645) has the molecular formula C15H14ClF3N4OS and a molecular weight of 390.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631645
Molecular FormulaC15H14ClF3N4OS
Molecular Weight390.82 g/mol
Exact Mass390.05
IUPAC Name(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4OS/c1-9-20-11(15(17,18)19)8-13(21-9)22-4-6-23(7-5-22)14(24)10-2-3-12(16)25-10/h2-3,8H,4-7H2,1H3
InChIKeyDPGLUFMCJZZAES-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631645) is (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is DPGLUFMCJZZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4OS/c1-9-20-11(15(17,18)19)8-13(21-9)22-4-6-23(7-5-22)14(24)10-2-3-12(16)25-10/h2-3,8H,4-7H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 390.82 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).