4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine

C13H24N2S2 — CID 43129559

IUPAC4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCSc1sc(N)nc1C
InChIInChI=1S/C13H24N2S2/c1-3-4-5-6-7-8-9-10-16-12-11(2)15-13(14)17-12/h3-10H2,1-2H3,(H2,14,15)
InChIKeyBRQNCYKUZDQBKZ-UHFFFAOYSA-N
MW272.48 g/mol
LogP4.88
Rot. Bonds9

About 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine

4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine (PubChem CID 43129559) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
PubChem CID43129559
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCSc1sc(N)nc1C
InChIInChI=1S/C13H24N2S2/c1-3-4-5-6-7-8-9-10-16-12-11(2)15-13(14)17-12/h3-10H2,1-2H3,(H2,14,15)
InChIKeyBRQNCYKUZDQBKZ-UHFFFAOYSA-N
XLogP4.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.88
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-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine (CID 43129559) is 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine is CCCCCCCCCSc1sc(N)nc1C.
What is the InChIKey of 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine?
The InChIKey is BRQNCYKUZDQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-3-4-5-6-7-8-9-10-16-12-11(2)15-13(14)17-12/h3-10H2,1-2H3,(H2,14,15).
What are the key properties of 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine?
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine has a molecular weight of 272.48 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43129559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).