[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

C13H15ClN4OS — CID 80692684

IUPAC[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(c3ccccn3)CC2)nc1Cl
InChIInChI=1S/C13H15ClN4OS/c14-12-10(9-19)20-13(16-12)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4,19H,5-9H2
InChIKeyPIBADJMPZXLKEQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.01
Rot. Bonds3

About [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80692684) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80692684
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN(c3ccccn3)CC2)nc1Cl
InChIInChI=1S/C13H15ClN4OS/c14-12-10(9-19)20-13(16-12)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4,19H,5-9H2
InChIKeyPIBADJMPZXLKEQ-UHFFFAOYSA-N
XLogP2.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083550
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone
CID 18787143
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
methyl 4-chloro-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133279621
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 117083304
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 80692684) is [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCN(c3ccccn3)CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PIBADJMPZXLKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c14-12-10(9-19)20-13(16-12)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4,19H,5-9H2.
What are the key properties of [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 310.81 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).