5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C12H17N5S — CID 118200038

IUPAC5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1cnc(-c2cnc(N3CCN(C)CC3)s2)[nH]1
InChIInChI=1S/C12H17N5S/c1-9-7-13-11(15-9)10-8-14-12(18-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVSRXZROXGWNKBQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.59
Rot. Bonds2

About 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 118200038) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID118200038
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1cnc(-c2cnc(N3CCN(C)CC3)s2)[nH]1
InChIInChI=1S/C12H17N5S/c1-9-7-13-11(15-9)10-8-14-12(18-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVSRXZROXGWNKBQ-UHFFFAOYSA-N
XLogP1.59
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 118200038) is 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is Cc1cnc(-c2cnc(N3CCN(C)CC3)s2)[nH]1.
What is the InChIKey of 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is VSRXZROXGWNKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-7-13-11(15-9)10-8-14-12(18-10)17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 263.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-imidazol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 118200038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).