N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H18N2S2 — CID 62501019

IUPACN-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2cccs2)sc1CNC(C)C
InChIInChI=1S/C13H18N2S2/c1-9(2)14-8-12-10(3)15-13(17-12)7-11-5-4-6-16-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyGEJMJYXOLXNEJB-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.60
Rot. Bonds5

About N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62501019) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62501019
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC NameN-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(Cc2cccs2)sc1CNC(C)C
InChIInChI=1S/C13H18N2S2/c1-9(2)14-8-12-10(3)15-13(17-12)7-11-5-4-6-16-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyGEJMJYXOLXNEJB-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine 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-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62501019) is N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(Cc2cccs2)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GEJMJYXOLXNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-9(2)14-8-12-10(3)15-13(17-12)7-11-5-4-6-16-11/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62501019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).