2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

C11H13NOS2 — CID 4251278

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc(CSC2=NCCS2)cc1
InChIInChI=1S/C11H13NOS2/c1-13-10-4-2-9(3-5-10)8-15-11-12-6-7-14-11/h2-5H,6-8H2,1H3
InChIKeyHVJKRRDEMUQPNP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.03
Rot. Bonds3

About 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 4251278) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID4251278
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCOc1ccc(CSC2=NCCS2)cc1
InChIInChI=1S/C11H13NOS2/c1-13-10-4-2-9(3-5-10)8-15-11-12-6-7-14-11/h2-5H,6-8H2,1H3
InChIKeyHVJKRRDEMUQPNP-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 4251278) is 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is COc1ccc(CSC2=NCCS2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is HVJKRRDEMUQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-13-10-4-2-9(3-5-10)8-15-11-12-6-7-14-11/h2-5H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 239.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 4251278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).