5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

C13H23N3S — CID 63863300

IUPAC5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)N2CC(C)NC(C)C2)s1
InChIInChI=1S/C13H23N3S/c1-8-6-16(7-9(2)14-8)11(4)13-10(3)15-12(5)17-13/h8-9,11,14H,6-7H2,1-5H3
InChIKeyBOUFWDQDFWKJKU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.50
Rot. Bonds2

About 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole

5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 63863300) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID63863300
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(C)N2CC(C)NC(C)C2)s1
InChIInChI=1S/C13H23N3S/c1-8-6-16(7-9(2)14-8)11(4)13-10(3)15-12(5)17-13/h8-9,11,14H,6-7H2,1-5H3
InChIKeyBOUFWDQDFWKJKU-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-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-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 66213330
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959869
5-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947821
2,4-dimethyl-5-[1-(2-methyl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64947629
N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511650
5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64943457
2-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-1,3-benzothiazole
CID 63861175
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione
CID 54962558
5-[1-(2-ethyl-5-propylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64947244
2,4-dimethyl-5-[1-(2-propan-2-yl-5-propylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64948206
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole (CID 63863300) is 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C(C)N2CC(C)NC(C)C2)s1.
What is the InChIKey of 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is BOUFWDQDFWKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-8-6-16(7-9(2)14-8)11(4)13-10(3)15-12(5)17-13/h8-9,11,14H,6-7H2,1-5H3.
What are the key properties of 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole?
5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 63863300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).