1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

C15H20N2S2 — CID 64626293

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCC(C)Cc1ccc(C(N)CSc2nccs2)cc1
InChIInChI=1S/C15H20N2S2/c1-11(2)9-12-3-5-13(6-4-12)14(16)10-19-15-17-7-8-18-15/h3-8,11,14H,9-10,16H2,1-2H3
InChIKeyGENPAXMFQMLKTC-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (PubChem CID 64626293) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
PubChem CID64626293
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCC(C)Cc1ccc(C(N)CSc2nccs2)cc1
InChIInChI=1S/C15H20N2S2/c1-11(2)9-12-3-5-13(6-4-12)14(16)10-19-15-17-7-8-18-15/h3-8,11,14H,9-10,16H2,1-2H3
InChIKeyGENPAXMFQMLKTC-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
CID 64614387
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
1-(1-benzofuran-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626110
1-[4-(1,3-thiazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 63819041
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (CID 64626293) is 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is CC(C)Cc1ccc(C(N)CSc2nccs2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The InChIKey is GENPAXMFQMLKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11(2)9-12-3-5-13(6-4-12)14(16)10-19-15-17-7-8-18-15/h3-8,11,14H,9-10,16H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine has a molecular weight of 292.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 64626293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).