2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C15H15NO3S — CID 103985961

IUPAC2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CC2CCOC2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-15(18)14-13(11-4-2-1-3-5-11)16-12(20-14)8-10-6-7-19-9-10/h1-5,10H,6-9H2,(H,17,18)
InChIKeyPJNADRYCHYFYMV-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.09
Rot. Bonds4

About 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 103985961) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID103985961
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CC2CCOC2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-15(18)14-13(11-4-2-1-3-5-11)16-12(20-14)8-10-6-7-19-9-10/h1-5,10H,6-9H2,(H,17,18)
InChIKeyPJNADRYCHYFYMV-UHFFFAOYSA-N
XLogP3.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 81173771
4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359934
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 103988069
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine
CID 103986039
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057
5-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 113361992
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 103985961) is 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(CC2CCOC2)nc1-c1ccccc1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PJNADRYCHYFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(18)14-13(11-4-2-1-3-5-11)16-12(20-14)8-10-6-7-19-9-10/h1-5,10H,6-9H2,(H,17,18).
What are the key properties of 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103985961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).