N-methyl-1-(1,3-thiazol-5-yl)methanamine

C5H8N2S — CID 45121664

IUPACN-methyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCNCc1cncs1
InChIInChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKeyBVDWIWZWZZLCGR-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-1-(1,3-thiazol-5-yl)methanamine

N-methyl-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 45121664) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-5-yl)methanamine
PubChem CID45121664
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC NameN-methyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCNCc1cncs1
InChIInChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKeyBVDWIWZWZZLCGR-UHFFFAOYSA-N
XLogP0.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(1,3-thiazol-5-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-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1,3-thiazol-5-yl)methanamine (CID 45121664) is N-methyl-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-5-yl)methanamine is CNCc1cncs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is BVDWIWZWZZLCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-5-yl)methanamine?
N-methyl-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 128.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 45121664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).