4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine

C10H18N2S2 — CID 115691855

IUPAC4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
SMILESCSCCCCNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S2/c1-8-9(2)14-10(12-8)11-6-4-5-7-13-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyFDQIGOOXEOCGOY-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.32
Rot. Bonds6

About 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine (PubChem CID 115691855) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
PubChem CID115691855
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
SMILESCSCCCCNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S2/c1-8-9(2)14-10(12-8)11-6-4-5-7-13-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyFDQIGOOXEOCGOY-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine (CID 115691855) is 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine is CSCCCCNc1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine?
The InChIKey is FDQIGOOXEOCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8-9(2)14-10(12-8)11-6-4-5-7-13-3/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115691855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).