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

C10H18N2S2 — CID 29006653

IUPAC5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
SMILESCCCCCCSc1sc(N)nc1C
InChIInChI=1S/C10H18N2S2/c1-3-4-5-6-7-13-9-8(2)12-10(11)14-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyRFGATFRPAXZGHG-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.71
Rot. Bonds6

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

5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 29006653) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
PubChem CID29006653
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
SMILESCCCCCCSc1sc(N)nc1C
InChIInChI=1S/C10H18N2S2/c1-3-4-5-6-7-13-9-8(2)12-10(11)14-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyRFGATFRPAXZGHG-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 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 ≤ 53.71
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 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine (CID 29006653) is 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine is CCCCCCSc1sc(N)nc1C.
What is the InChIKey of 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RFGATFRPAXZGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-3-4-5-6-7-13-9-8(2)12-10(11)14-9/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine?
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 29006653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).