N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H12N2S2 — CID 29068066

IUPACN-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C10H12N2S2/c1-13-9-4-2-3-8(7-9)12-10-11-5-6-14-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyCQOBZDYBWITKFS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.92
Rot. Bonds2

About N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068066) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068066
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C10H12N2S2/c1-13-9-4-2-3-8(7-9)12-10-11-5-6-14-10/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyCQOBZDYBWITKFS-UHFFFAOYSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-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

Related Compounds

N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297593
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023
1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylsulfanylphenyl)hydrazine
CID 67906819
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
CID 21179407
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068066) is N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CSc1cccc(NC2=NCCS2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CQOBZDYBWITKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-13-9-4-2-3-8(7-9)12-10-11-5-6-14-10/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).