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

C14H21N5S — CID 56778657

IUPAC4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nccn3C)CC2C)n1
InChIInChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyXHWPTVKCMOPHIW-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.90
Rot. Bonds3

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

4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 56778657) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID56778657
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nccn3C)CC2C)n1
InChIInChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyXHWPTVKCMOPHIW-UHFFFAOYSA-N
XLogP1.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 56778657) is 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(Cc3nccn3C)CC2C)n1.
What is the InChIKey of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is XHWPTVKCMOPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 291.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 56778657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).