2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane

C10H20N2S — CID 145443790

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane
SMILESCCC.Cc1nc(CCN)c(C)s1
InChIInChI=1S/C7H12N2S.C3H8/c1-5-7(3-4-8)9-6(2)10-5;1-3-2/h3-4,8H2,1-2H3;3H2,1-2H3
InChIKeyGDDNVSOXUCUQLN-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.68
Rot. Bonds2

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane

2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane (PubChem CID 145443790) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane
PubChem CID145443790
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane
SMILESCCC.Cc1nc(CCN)c(C)s1
InChIInChI=1S/C7H12N2S.C3H8/c1-5-7(3-4-8)9-6(2)10-5;1-3-2/h3-4,8H2,1-2H3;3H2,1-2H3
InChIKeyGDDNVSOXUCUQLN-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane 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 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane (CID 145443790) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane is CCC.Cc1nc(CCN)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane?
The InChIKey is GDDNVSOXUCUQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C3H8/c1-5-7(3-4-8)9-6(2)10-5;1-3-2/h3-4,8H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane?
2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane has a molecular weight of 200.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;propane is sourced from PubChem (CID 145443790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).