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

C10H18N2S — CID 62530688

IUPAC2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(CNC(C)C)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-8(2)11-5-9(3)4-10-6-13-7-12-10/h6-9,11H,4-5H2,1-3H3
InChIKeyXUXTUHRAAYQNLY-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.32
Rot. Bonds5

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

2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 62530688) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID62530688
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(CNC(C)C)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-8(2)11-5-9(3)4-10-6-13-7-12-10/h6-9,11H,4-5H2,1-3H3
InChIKeyXUXTUHRAAYQNLY-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3S)-3-[[(2S)-2-methyl-3-(1,3-thiazol-4-yl)propyl]amino]butan-2-one
CID 143406082
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine (CID 62530688) is 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine is CC(CNC(C)C)Cc1cscn1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is XUXTUHRAAYQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)11-5-9(3)4-10-6-13-7-12-10/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 62530688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).