2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole

C18H17NS3 — CID 159330998

IUPAC2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(SC)ccc2-c2ccccc2)s1
InChIInChI=1S/C18H17NS3/c1-3-17-19-12-18(22-17)21-16-11-14(20-2)9-10-15(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyMHUZBTIVRDAVSQ-UHFFFAOYSA-N
MW343.54 g/mol
LogP6.25
Rot. Bonds5

About 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole

2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole (PubChem CID 159330998) has the molecular formula C18H17NS3 and a molecular weight of 343.54 g/mol. Its IUPAC name is 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole
PubChem CID159330998
Molecular FormulaC18H17NS3
Molecular Weight343.54 g/mol
Exact Mass343.05
IUPAC Name2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole
SMILESCCc1ncc(Sc2cc(SC)ccc2-c2ccccc2)s1
InChIInChI=1S/C18H17NS3/c1-3-17-19-12-18(22-17)21-16-11-14(20-2)9-10-15(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyMHUZBTIVRDAVSQ-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.54
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole (CID 159330998) is 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole is CCc1ncc(Sc2cc(SC)ccc2-c2ccccc2)s1.
What is the InChIKey of 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole?
The InChIKey is MHUZBTIVRDAVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS3/c1-3-17-19-12-18(22-17)21-16-11-14(20-2)9-10-15(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole?
2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole has a molecular weight of 343.54 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-methylsulfanyl-2-phenylphenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 159330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).