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

C14H13NO3S — CID 98019181

IUPAC2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C14H13NO3S/c16-13(17)7-11-8-19-14(15-11)10-3-4-12-9(6-10)2-1-5-18-12/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeySFZKBMREUBCDLS-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.76
Rot. Bonds3

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

2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 98019181) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID98019181
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C14H13NO3S/c16-13(17)7-11-8-19-14(15-11)10-3-4-12-9(6-10)2-1-5-18-12/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeySFZKBMREUBCDLS-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 43326566
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-[2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43170587
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 144760922
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
2-[2-(7-bromo-1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43326631
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid (CID 98019181) is 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SFZKBMREUBCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(17)7-11-8-19-14(15-11)10-3-4-12-9(6-10)2-1-5-18-12/h3-4,6,8H,1-2,5,7H2,(H,16,17).
What are the key properties of 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 98019181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).