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

C8H14N2S — CID 10749687

IUPACN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCNCc1csc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
InChIKeyHWSFABGWAXURNG-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 10749687) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
PubChem CID10749687
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCNCc1csc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
InChIKeyHWSFABGWAXURNG-UHFFFAOYSA-N
XLogP1.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine (CID 10749687) is N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine is CNCc1csc(C(C)C)n1.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is HWSFABGWAXURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 170.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 10749687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).