2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol

C12H11NO2S — CID 116889808

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C12H11NO2S/c14-11-7-16-12(13-11)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7,14H,1-2,5H2
InChIKeyYAKOTFOLIQJYCG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.84
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol

2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol (PubChem CID 116889808) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
PubChem CID116889808
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C12H11NO2S/c14-11-7-16-12(13-11)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7,14H,1-2,5H2
InChIKeyYAKOTFOLIQJYCG-UHFFFAOYSA-N
XLogP2.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96668443

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol (CID 116889808) is 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol is Oc1csc(-c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol?
The InChIKey is YAKOTFOLIQJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-11-7-16-12(13-11)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7,14H,1-2,5H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol?
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol has a molecular weight of 233.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).