4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine

C15H20N2S2 — CID 139660212

IUPAC4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine
SMILESCCCCCc1sc(N)nc1-c1ccc(SC)cc1
InChIInChI=1S/C15H20N2S2/c1-3-4-5-6-13-14(17-15(16)19-13)11-7-9-12(18-2)10-8-11/h7-10H,3-6H2,1-2H3,(H2,16,17)
InChIKeyNVARVMLRRUMMPO-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.85
Rot. Bonds6

About 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine

4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine (PubChem CID 139660212) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine
PubChem CID139660212
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine
SMILESCCCCCc1sc(N)nc1-c1ccc(SC)cc1
InChIInChI=1S/C15H20N2S2/c1-3-4-5-6-13-14(17-15(16)19-13)11-7-9-12(18-2)10-8-11/h7-10H,3-6H2,1-2H3,(H2,16,17)
InChIKeyNVARVMLRRUMMPO-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.85
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-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine (CID 139660212) is 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine is CCCCCc1sc(N)nc1-c1ccc(SC)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine?
The InChIKey is NVARVMLRRUMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-3-4-5-6-13-14(17-15(16)19-13)11-7-9-12(18-2)10-8-11/h7-10H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine?
4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-5-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139660212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).