5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

C13H21N3S — CID 64925154

IUPAC5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCNC(C)(C3CC3)C2)s1
InChIInChI=1S/C13H21N3S/c1-10-14-7-12(17-10)8-16-6-5-15-13(2,9-16)11-3-4-11/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyZVPHUIRHRYLDOG-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.03
Rot. Bonds3

About 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole

5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 64925154) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID64925154
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCNC(C)(C3CC3)C2)s1
InChIInChI=1S/C13H21N3S/c1-10-14-7-12(17-10)8-16-6-5-15-13(2,9-16)11-3-4-11/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyZVPHUIRHRYLDOG-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-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

5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952174
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
5-[(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644972
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-3-methyl-1,4-diazepane
CID 64872286
3-[2-(3-cyclopropyl-3-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185224
3-cyclopropyl-3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016188
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682
2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64834096
5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64947439

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole (CID 64925154) is 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is Cc1ncc(CN2CCNC(C)(C3CC3)C2)s1.
What is the InChIKey of 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is ZVPHUIRHRYLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-14-7-12(17-10)8-16-6-5-15-13(2,9-16)11-3-4-11/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole?
5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 64925154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).