[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol

C13H13NO2S — CID 116867444

IUPAC[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C13H13NO2S/c15-7-13-14-11(8-17-13)9-3-4-12-10(6-9)2-1-5-16-12/h3-4,6,8,15H,1-2,5,7H2
InChIKeyIWXPASZKNNXEJQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.63
Rot. Bonds2

About [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol

[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 116867444) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
PubChem CID116867444
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C13H13NO2S/c15-7-13-14-11(8-17-13)9-3-4-12-10(6-9)2-1-5-16-12/h3-4,6,8,15H,1-2,5,7H2
InChIKeyIWXPASZKNNXEJQ-UHFFFAOYSA-N
XLogP2.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
CID 114803051
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol (CID 116867444) is [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc3c(c2)CCCO3)cs1.
What is the InChIKey of [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is IWXPASZKNNXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-7-13-14-11(8-17-13)9-3-4-12-10(6-9)2-1-5-16-12/h3-4,6,8,15H,1-2,5,7H2.
What are the key properties of [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol?
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 247.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 116867444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).