2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid

C13H11NO3S — CID 65408477

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2COc3ccccc3C2)s1
InChIInChI=1S/C13H11NO3S/c15-13(16)11-6-14-12(18-11)9-5-8-3-1-2-4-10(8)17-7-9/h1-4,6,9H,5,7H2,(H,15,16)
InChIKeyUHGPRBZIXHGDKY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.56
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid

2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 65408477) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID65408477
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2COc3ccccc3C2)s1
InChIInChI=1S/C13H11NO3S/c15-13(16)11-6-14-12(18-11)9-5-8-3-1-2-4-10(8)17-7-9/h1-4,6,9H,5,7H2,(H,15,16)
InChIKeyUHGPRBZIXHGDKY-UHFFFAOYSA-N
XLogP2.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65404995
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
CID 116647896
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
5-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]thiophene-2-carboxylic acid
CID 122111115
2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65406177
(Z)-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]prop-2-enoic acid
CID 96893072
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid (CID 65408477) is 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2COc3ccccc3C2)s1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UHGPRBZIXHGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(16)11-6-14-12(18-11)9-5-8-3-1-2-4-10(8)17-7-9/h1-4,6,9H,5,7H2,(H,15,16).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid?
2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 2.56, 2 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-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 65408477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).