3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid

C10H12N2O4S — CID 66257204

IUPAC3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cscn1
InChIInChI=1S/C10H12N2O4S/c1-10(9(14)15)4-16-2-7(10)12-8(13)6-3-17-5-11-6/h3,5,7H,2,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyRLOMZBYXMWJFNQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.36
Rot. Bonds3

About 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid

3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66257204) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66257204
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cscn1
InChIInChI=1S/C10H12N2O4S/c1-10(9(14)15)4-16-2-7(10)12-8(13)6-3-17-5-11-6/h3,5,7H,2,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyRLOMZBYXMWJFNQ-UHFFFAOYSA-N
XLogP0.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoropyridine-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104638322
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66254719
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
4-[[4-(hydroxymethyl)benzoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250277
3-methyl-4-[(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66256255
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 114326744
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104785636
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66254333

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid (CID 66257204) is 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1cscn1.
What is the InChIKey of 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is RLOMZBYXMWJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-10(9(14)15)4-16-2-7(10)12-8(13)6-3-17-5-11-6/h3,5,7H,2,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid?
3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,3-thiazole-4-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66257204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).