[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone

C15H13ClF3N3OS — CID 24684643

IUPAC[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H13ClF3N3OS/c16-11-8-10(15(17,18)19)9-20-13(11)21-3-5-22(6-4-21)14(23)12-2-1-7-24-12/h1-2,7-9H,3-6H2
InChIKeyNAVYRGDMQNLYMM-UHFFFAOYSA-N
MW375.80 g/mol
LogP3.78
Rot. Bonds2

About [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 24684643) has the molecular formula C15H13ClF3N3OS and a molecular weight of 375.80 g/mol. Its IUPAC name is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID24684643
Molecular FormulaC15H13ClF3N3OS
Molecular Weight375.80 g/mol
Exact Mass375.04
IUPAC Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H13ClF3N3OS/c16-11-8-10(15(17,18)19)9-20-13(11)21-3-5-22(6-4-21)14(23)12-2-1-7-24-12/h1-2,7-9H,3-6H2
InChIKeyNAVYRGDMQNLYMM-UHFFFAOYSA-N
XLogP3.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
1-[(3-Methyl-2-thienyl)carbonyl]-4-(2-pyridinyl)piperazine
CID 3283010
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazino}-2-(pyridin-2-ylthio)ethan-1-one
CID 2741801
N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2746633
(5-Nitrothiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878376
[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9439669
[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 24818268
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 44526238
5-chloro-N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 2147584
2-[4-(Thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812128
(4-Ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16573255
1-(Thiophen-2-yl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}butane-1,4-dione
CID 8933814

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 24684643) is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is NAVYRGDMQNLYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3OS/c16-11-8-10(15(17,18)19)9-20-13(11)21-3-5-22(6-4-21)14(23)12-2-1-7-24-12/h1-2,7-9H,3-6H2.
What are the key properties of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 375.80 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 24684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).