5-hexadecylsulfanyl-1,3-thiazol-2-amine

C19H36N2S2 — CID 154328112

IUPAC5-hexadecylsulfanyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCCCCCCCCSc1cnc(N)s1
InChIInChI=1S/C19H36N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17-21-19(20)23-18/h17H,2-16H2,1H3,(H2,20,21)
InChIKeyYLRDIKAUVZXWEQ-UHFFFAOYSA-N
MW356.65 g/mol
LogP7.30
Rot. Bonds16

About 5-hexadecylsulfanyl-1,3-thiazol-2-amine

5-hexadecylsulfanyl-1,3-thiazol-2-amine (PubChem CID 154328112) has the molecular formula C19H36N2S2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-hexadecylsulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-hexadecylsulfanyl-1,3-thiazol-2-amine
PubChem CID154328112
Molecular FormulaC19H36N2S2
Molecular Weight356.65 g/mol
Exact Mass356.23
IUPAC Name5-hexadecylsulfanyl-1,3-thiazol-2-amine
SMILESCCCCCCCCCCCCCCCCSc1cnc(N)s1
InChIInChI=1S/C19H36N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17-21-19(20)23-18/h17H,2-16H2,1H3,(H2,20,21)
InChIKeyYLRDIKAUVZXWEQ-UHFFFAOYSA-N
XLogP7.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.65
LogP ≤ 57.30
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-hexadecylsulfanyl-1,3-thiazol-2-amine?
The IUPAC name of 5-hexadecylsulfanyl-1,3-thiazol-2-amine (CID 154328112) is 5-hexadecylsulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-hexadecylsulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-hexadecylsulfanyl-1,3-thiazol-2-amine is CCCCCCCCCCCCCCCCSc1cnc(N)s1.
What is the InChIKey of 5-hexadecylsulfanyl-1,3-thiazol-2-amine?
The InChIKey is YLRDIKAUVZXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-17-21-19(20)23-18/h17H,2-16H2,1H3,(H2,20,21).
What are the key properties of 5-hexadecylsulfanyl-1,3-thiazol-2-amine?
5-hexadecylsulfanyl-1,3-thiazol-2-amine has a molecular weight of 356.65 g/mol, XLogP of 7.30, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexadecylsulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 154328112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).