2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C13H24N4S — CID 61171194

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCc2cscn2)CC1
InChIInChI=1S/C13H24N4S/c1-13(2,17-6-4-16(3)5-7-17)10-14-8-12-9-18-11-15-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyNUSLEISSFRFNQN-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 61171194) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID61171194
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCN1CCN(C(C)(C)CNCc2cscn2)CC1
InChIInChI=1S/C13H24N4S/c1-13(2,17-6-4-16(3)5-7-17)10-14-8-12-9-18-11-15-12/h9,11,14H,4-8,10H2,1-3H3
InChIKeyNUSLEISSFRFNQN-UHFFFAOYSA-N
XLogP1.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine 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

2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 55109545
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
CID 80556664
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66134790
2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 28728842
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131086458
1-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
CID 63718090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 61171194) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CN1CCN(C(C)(C)CNCc2cscn2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is NUSLEISSFRFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-13(2,17-6-4-16(3)5-7-17)10-14-8-12-9-18-11-15-12/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 61171194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).