5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one

C14H10ClNO2S — CID 15987393

IUPAC5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H10ClNO2S/c15-13-8-14(17)16(19-13)9-10-3-5-11(6-4-10)12-2-1-7-18-12/h1-8H,9H2
InChIKeyODIDZYHWZGKVOX-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one

5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one (PubChem CID 15987393) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
PubChem CID15987393
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H10ClNO2S/c15-13-8-14(17)16(19-13)9-10-3-5-11(6-4-10)12-2-1-7-18-12/h1-8H,9H2
InChIKeyODIDZYHWZGKVOX-UHFFFAOYSA-N
XLogP3.87
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one (CID 15987393) is 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one is O=c1cc(Cl)sn1Cc1ccc(-c2ccco2)cc1.
What is the InChIKey of 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The InChIKey is ODIDZYHWZGKVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-13-8-14(17)16(19-13)9-10-3-5-11(6-4-10)12-2-1-7-18-12/h1-8H,9H2.
What are the key properties of 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one has a molecular weight of 291.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one is sourced from PubChem (CID 15987393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).