2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol

C7H12N2S2 — CID 20699494

IUPAC2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
SMILESCNC(CS)Cc1nccs1
InChIInChI=1S/C7H12N2S2/c1-8-6(5-10)4-7-9-2-3-11-7/h2-3,6,8,10H,4-5H2,1H3
InChIKeyCHVXXVFGAGLCOQ-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.20
Rot. Bonds4

About 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol

2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol (PubChem CID 20699494) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol.

Molecular Properties

Compound Name2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
PubChem CID20699494
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
SMILESCNC(CS)Cc1nccs1
InChIInChI=1S/C7H12N2S2/c1-8-6(5-10)4-7-9-2-3-11-7/h2-3,6,8,10H,4-5H2,1H3
InChIKeyCHVXXVFGAGLCOQ-UHFFFAOYSA-N
XLogP1.20
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol 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

N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156
N-methyl-1-(thian-4-yl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105169149
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol?
The IUPAC name of 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol (CID 20699494) is 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol.
What is the SMILES notation for 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol?
The canonical SMILES for 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol is CNC(CS)Cc1nccs1.
What is the InChIKey of 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol?
The InChIKey is CHVXXVFGAGLCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-8-6(5-10)4-7-9-2-3-11-7/h2-3,6,8,10H,4-5H2,1H3.
What are the key properties of 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol?
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol has a molecular weight of 188.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol is sourced from PubChem (CID 20699494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).