(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone

C15H18N4OS — CID 128877823

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCNCC2c2ccncc2)c(C)s1
InChIInChI=1S/C15H18N4OS/c1-10-14(18-11(2)21-10)15(20)19-8-7-17-9-13(19)12-3-5-16-6-4-12/h3-6,13,17H,7-9H2,1-2H3
InChIKeyLFLWHKAYGHBXFM-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.94
Rot. Bonds2

About (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone

(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 128877823) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID128877823
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCNCC2c2ccncc2)c(C)s1
InChIInChI=1S/C15H18N4OS/c1-10-14(18-11(2)21-10)15(20)19-8-7-17-9-13(19)12-3-5-16-6-4-12/h3-6,13,17H,7-9H2,1-2H3
InChIKeyLFLWHKAYGHBXFM-UHFFFAOYSA-N
XLogP1.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
CID 138000455
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
CID 120741050
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone (CID 128877823) is (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCNCC2c2ccncc2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LFLWHKAYGHBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-14(18-11(2)21-10)15(20)19-8-7-17-9-13(19)12-3-5-16-6-4-12/h3-6,13,17H,7-9H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 128877823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).