5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

C12H21N3S — CID 64953207

IUPAC5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1(C)CN(Cc2scnc2C)CCN1
InChIInChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3
InChIKeySXXJAHMRBJPYLH-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds3

About 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64953207) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64953207
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1(C)CN(Cc2scnc2C)CCN1
InChIInChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3
InChIKeySXXJAHMRBJPYLH-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-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

4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64952945
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
3-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane
CID 64948988
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
1-[(5-bromo-3-pyridinyl)methyl]-3-ethyl-3-methylpiperazine
CID 104812297
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97473987

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64953207) is 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is CCC1(C)CN(Cc2scnc2C)CCN1.
What is the InChIKey of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is SXXJAHMRBJPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3.
What are the key properties of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 239.39 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-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).