4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol

C17H13NO2S — CID 63346307

IUPAC4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C17H13NO2S/c19-16(11-6-2-1-3-7-11)17-18-15-12-8-4-5-9-13(12)20-10-14(15)21-17/h1-9,16,19H,10H2
InChIKeyHVJCZOJXOMSRAF-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.78
Rot. Bonds2

About 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol

4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol (PubChem CID 63346307) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol.

Molecular Properties

Compound Name4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol
PubChem CID63346307
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C17H13NO2S/c19-16(11-6-2-1-3-7-11)17-18-15-12-8-4-5-9-13(12)20-10-14(15)21-17/h1-9,16,19H,10H2
InChIKeyHVJCZOJXOMSRAF-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol?
The IUPAC name of 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol (CID 63346307) is 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol.
What is the SMILES notation for 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol?
The canonical SMILES for 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol is OC(c1ccccc1)c1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol?
The InChIKey is HVJCZOJXOMSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c19-16(11-6-2-1-3-7-11)17-18-15-12-8-4-5-9-13(12)20-10-14(15)21-17/h1-9,16,19H,10H2.
What are the key properties of 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol?
4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol has a molecular weight of 295.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromeno[4,3-d][1,3]thiazol-2-yl(phenyl)methanol is sourced from PubChem (CID 63346307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).