5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

C13H15ClN4S — CID 120910056

IUPAC5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C13H15ClN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2
InChIKeyPHIILBSPLVHHRE-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.34
Rot. Bonds3

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

5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120910056) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120910056
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C13H15ClN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2
InChIKeyPHIILBSPLVHHRE-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910696
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120910469
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910331
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120910056) is 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is Clc1cnc(CN2CCNCC2c2ccncc2)s1.
What is the InChIKey of 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is PHIILBSPLVHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2.
What are the key properties of 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 294.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120910056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).