4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C18H20N2S2 — CID 70331901

IUPAC4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCSC(c1ccccc1)(c1ccccc1)C1CSC(N)=N1
InChIInChI=1S/C18H20N2S2/c1-2-22-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)16-13-21-17(19)20-16/h3-12,16H,2,13H2,1H3,(H2,19,20)
InChIKeyYLHZSHQOSGVFHV-UHFFFAOYSA-N
MW328.51 g/mol
LogP4.11
Rot. Bonds5

About 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 70331901) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID70331901
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCSC(c1ccccc1)(c1ccccc1)C1CSC(N)=N1
InChIInChI=1S/C18H20N2S2/c1-2-22-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)16-13-21-17(19)20-16/h3-12,16H,2,13H2,1H3,(H2,19,20)
InChIKeyYLHZSHQOSGVFHV-UHFFFAOYSA-N
XLogP4.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 70331901) is 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CCSC(c1ccccc1)(c1ccccc1)C1CSC(N)=N1.
What is the InChIKey of 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YLHZSHQOSGVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-2-22-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)16-13-21-17(19)20-16/h3-12,16H,2,13H2,1H3,(H2,19,20).
What are the key properties of 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 328.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 70331901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).