4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

C16H19N7S — CID 120871073

IUPAC4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C16H19N7S/c1-22-7-6-20-15(22)13-9-17-5-8-23(13)10-12-11-24-16(21-12)14-18-3-2-4-19-14/h2-4,6-7,11,13,17H,5,8-10H2,1H3
InChIKeySXNZMEZORDAEDN-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.48
Rot. Bonds4

About 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 120871073) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID120871073
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCn1ccnc1C1CNCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C16H19N7S/c1-22-7-6-20-15(22)13-9-17-5-8-23(13)10-12-11-24-16(21-12)14-18-3-2-4-19-14/h2-4,6-7,11,13,17H,5,8-10H2,1H3
InChIKeySXNZMEZORDAEDN-UHFFFAOYSA-N
XLogP1.48
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870607
2,5,6-trimethyl-4-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]pyridazin-3-one;dihydrochloride
CID 120871062
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870745
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 120871073) is 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is Cn1ccnc1C1CNCCN1Cc1csc(-c2ncccn2)n1.
What is the InChIKey of 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is SXNZMEZORDAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-22-7-6-20-15(22)13-9-17-5-8-23(13)10-12-11-24-16(21-12)14-18-3-2-4-19-14/h2-4,6-7,11,13,17H,5,8-10H2,1H3.
What are the key properties of 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 341.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 120871073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).