2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid

C10H13NO3S — CID 115036116

IUPAC2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1C1CCCO1
InChIInChI=1S/C10H13NO3S/c1-6-10(7-3-2-4-14-7)11-8(15-6)5-9(12)13/h7H,2-5H2,1H3,(H,12,13)
InChIKeyKCSCIOFUIFSJBR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.93
Rot. Bonds3

About 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid

2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 115036116) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID115036116
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1C1CCCO1
InChIInChI=1S/C10H13NO3S/c1-6-10(7-3-2-4-14-7)11-8(15-6)5-9(12)13/h7H,2-5H2,1H3,(H,12,13)
InChIKeyKCSCIOFUIFSJBR-UHFFFAOYSA-N
XLogP1.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036296
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 115027230
4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115021656
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 115327935
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199815
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 116868149
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027246
5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
CID 134854426

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid (CID 115036116) is 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid is Cc1sc(CC(=O)O)nc1C1CCCO1.
What is the InChIKey of 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is KCSCIOFUIFSJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-10(7-3-2-4-14-7)11-8(15-6)5-9(12)13/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid?
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 227.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 115036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).