1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

C14H18N2S2 — CID 64648813

IUPAC1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCCc1ccc(C(N)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2S2/c1-3-11-4-6-12(7-5-11)13(15)9-18-14-16-10(2)8-17-14/h4-8,13H,3,9,15H2,1-2H3
InChIKeyPFLPQQIVEOTFIV-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (PubChem CID 64648813) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
PubChem CID64648813
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCCc1ccc(C(N)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H18N2S2/c1-3-11-4-6-12(7-5-11)13(15)9-18-14-16-10(2)8-17-14/h4-8,13H,3,9,15H2,1-2H3
InChIKeyPFLPQQIVEOTFIV-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (CID 64648813) is 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is CCc1ccc(C(N)CSc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is PFLPQQIVEOTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-3-11-4-6-12(7-5-11)13(15)9-18-14-16-10(2)8-17-14/h4-8,13H,3,9,15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 278.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 64648813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).