4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole

C15H12ClNO3S2 — CID 2820001

IUPAC4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1ccco1)Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H12ClNO3S2/c16-12-5-3-11(4-6-12)14-8-21-15(17-14)10-22(18,19)9-13-2-1-7-20-13/h1-8H,9-10H2
InChIKeyANIQAZSAUKZXAN-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.17
Rot. Bonds5

About 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole

4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole (PubChem CID 2820001) has the molecular formula C15H12ClNO3S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole
PubChem CID2820001
Molecular FormulaC15H12ClNO3S2
Molecular Weight353.85 g/mol
Exact Mass352.99
IUPAC Name4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1ccco1)Cc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H12ClNO3S2/c16-12-5-3-11(4-6-12)14-8-21-15(17-14)10-22(18,19)9-13-2-1-7-20-13/h1-8H,9-10H2
InChIKeyANIQAZSAUKZXAN-UHFFFAOYSA-N
XLogP4.17
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole (CID 2820001) is 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1ccco1)Cc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole?
The InChIKey is ANIQAZSAUKZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S2/c16-12-5-3-11(4-6-12)14-8-21-15(17-14)10-22(18,19)9-13-2-1-7-20-13/h1-8H,9-10H2.
What are the key properties of 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole has a molecular weight of 353.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(furan-2-ylmethylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2820001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).