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

C10H17N3S — CID 18738458

IUPAC2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(C)CC2)cs1
InChIInChI=1S/C10H17N3S/c1-9-11-10(8-14-9)7-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3
InChIKeyKGSVWEVSVNVCNM-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.20
Rot. Bonds2

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

2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 18738458) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID18738458
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(C)CC2)cs1
InChIInChI=1S/C10H17N3S/c1-9-11-10(8-14-9)7-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3
InChIKeyKGSVWEVSVNVCNM-UHFFFAOYSA-N
XLogP1.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-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

Related Compounds

ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 18738458) is 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1nc(CN2CCN(C)CC2)cs1.
What is the InChIKey of 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is KGSVWEVSVNVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-9-11-10(8-14-9)7-13-5-3-12(2)4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 18738458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).