4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid

C12H14N2O4S — CID 82226488

IUPAC4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCCO2)nc1C1CC1
InChIInChI=1S/C12H14N2O4S/c15-10(7-2-1-5-18-7)14-12-13-8(6-3-4-6)9(19-12)11(16)17/h6-7H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyXWDLUMIDKNUHPM-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.84
Rot. Bonds4

About 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226488) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82226488
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCCO2)nc1C1CC1
InChIInChI=1S/C12H14N2O4S/c15-10(7-2-1-5-18-7)14-12-13-8(6-3-4-6)9(19-12)11(16)17/h6-7H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyXWDLUMIDKNUHPM-UHFFFAOYSA-N
XLogP1.84
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970365
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
4-cyclobutyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226657
4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226493
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 4877560
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
5-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 93058485
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid (CID 82226488) is 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC(=O)C2CCCO2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is XWDLUMIDKNUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-10(7-2-1-5-18-7)14-12-13-8(6-3-4-6)9(19-12)11(16)17/h6-7H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).