2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C12H17N5S — CID 120911940

IUPAC2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1nccs1
InChIInChI=1S/C12H17N5S/c1-16-5-3-15-12(16)10-8-13-2-6-17(10)9-11-14-4-7-18-11/h3-5,7,10,13H,2,6,8-9H2,1H3
InChIKeyQRBXGJQZFCNOIT-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.02
Rot. Bonds3

About 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 120911940) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID120911940
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1nccs1
InChIInChI=1S/C12H17N5S/c1-16-5-3-15-12(16)10-8-13-2-6-17(10)9-11-14-4-7-18-11/h3-5,7,10,13H,2,6,8-9H2,1H3
InChIKeyQRBXGJQZFCNOIT-UHFFFAOYSA-N
XLogP1.02
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 120871075
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 120911940) is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cn1ccnc1C1CNCCN1Cc1nccs1.
What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QRBXGJQZFCNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-16-5-3-15-12(16)10-8-13-2-6-17(10)9-11-14-4-7-18-11/h3-5,7,10,13H,2,6,8-9H2,1H3.
What are the key properties of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 263.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 120911940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).