3,4-bis(1,3-thiazol-2-yl)chromen-2-one

C15H8N2O2S2 — CID 123296227

IUPAC3,4-bis(1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2c(-c2nccs2)c1-c1nccs1
InChIInChI=1S/C15H8N2O2S2/c18-15-12(14-17-6-8-21-14)11(13-16-5-7-20-13)9-3-1-2-4-10(9)19-15/h1-8H
InChIKeyIBWHMBCYGZQOSN-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.04
Rot. Bonds2

About 3,4-bis(1,3-thiazol-2-yl)chromen-2-one

3,4-bis(1,3-thiazol-2-yl)chromen-2-one (PubChem CID 123296227) has the molecular formula C15H8N2O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3,4-bis(1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3,4-bis(1,3-thiazol-2-yl)chromen-2-one
PubChem CID123296227
Molecular FormulaC15H8N2O2S2
Molecular Weight312.38 g/mol
Exact Mass312.00
IUPAC Name3,4-bis(1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2c(-c2nccs2)c1-c1nccs1
InChIInChI=1S/C15H8N2O2S2/c18-15-12(14-17-6-8-21-14)11(13-16-5-7-20-13)9-3-1-2-4-10(9)19-15/h1-8H
InChIKeyIBWHMBCYGZQOSN-UHFFFAOYSA-N
XLogP4.04
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-thienyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
CID 783359
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
Thiazolylcoumarin
CID 21856046
7-[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfanyl]-4-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 11203250
4-(2-Methyl-1,3-thiazol-4-yl)-7-[[5-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1,3-thiazol-2-yl]sulfanyl]chromen-2-one
CID 59814832
4-(4-Fluorophenyl)-3-(1,3-thiazol-2-ylsulfanyl)chromen-2-one
CID 87918353
Hydrazinyl thiazolyl coumarin
CID 123402672
7-Methoxy-3-(2-thiazolyl)coumarin
CID 129783386
Phenylthiazolylcoumarin
CID 129881791
6-Thiazolylcoumarin
CID 134159696
4-Methyl-3-(1,3-thiazol-2-yl)chromen-2-imine
CID 134891896
3-(1,3-Thiazol-2-yl)chromen-2-imine
CID 134891969

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 3,4-bis(1,3-thiazol-2-yl)chromen-2-one (CID 123296227) is 3,4-bis(1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3,4-bis(1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 3,4-bis(1,3-thiazol-2-yl)chromen-2-one is O=c1oc2ccccc2c(-c2nccs2)c1-c1nccs1.
What is the InChIKey of 3,4-bis(1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is IBWHMBCYGZQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S2/c18-15-12(14-17-6-8-21-14)11(13-16-5-7-20-13)9-3-1-2-4-10(9)19-15/h1-8H.
What are the key properties of 3,4-bis(1,3-thiazol-2-yl)chromen-2-one?
3,4-bis(1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 312.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 123296227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).