4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine

C11H18N2S2 — CID 107268818

IUPAC4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESCSC1(CNc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C11H18N2S2/c1-8-9(2)15-10(13-8)12-7-11(14-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13)
InChIKeyPTSWTHPFUAJXBP-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.46
Rot. Bonds4

About 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107268818) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine
PubChem CID107268818
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESCSC1(CNc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C11H18N2S2/c1-8-9(2)15-10(13-8)12-7-11(14-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13)
InChIKeyPTSWTHPFUAJXBP-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine (CID 107268818) is 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine is CSC1(CNc2nc(C)c(C)s2)CCC1.
What is the InChIKey of 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PTSWTHPFUAJXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-9(2)15-10(13-8)12-7-11(14-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 242.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107268818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).