1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid

C12H14N2O4S — CID 120530552

IUPAC1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1csc(C2CCCO2)n1
InChIInChI=1S/C12H14N2O4S/c15-9(14-12(3-4-12)11(16)17)7-6-19-10(13-7)8-2-1-5-18-8/h6,8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyHRJJVHIDXLBJOW-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.34
Rot. Bonds4

About 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 120530552) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID120530552
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1csc(C2CCCO2)n1
InChIInChI=1S/C12H14N2O4S/c15-9(14-12(3-4-12)11(16)17)7-6-19-10(13-7)8-2-1-5-18-8/h6,8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyHRJJVHIDXLBJOW-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid (CID 120530552) is 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1csc(C2CCCO2)n1.
What is the InChIKey of 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is HRJJVHIDXLBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-9(14-12(3-4-12)11(16)17)7-6-19-10(13-7)8-2-1-5-18-8/h6,8H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).