2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid

C11H10N2O2S — CID 116965821

IUPAC2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H10N2O2S/c14-11(15)7-4-6(7)10-13-9(5-16-10)8-2-1-3-12-8/h1-3,5-7,12H,4H2,(H,14,15)
InChIKeyWASYRNLWBURNQW-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid

2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 116965821) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
PubChem CID116965821
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H10N2O2S/c14-11(15)7-4-6(7)10-13-9(5-16-10)8-2-1-3-12-8/h1-3,5-7,12H,4H2,(H,14,15)
InChIKeyWASYRNLWBURNQW-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid (CID 116965821) is 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is WASYRNLWBURNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(15)7-4-6(7)10-13-9(5-16-10)8-2-1-3-12-8/h1-3,5-7,12H,4H2,(H,14,15).
What are the key properties of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid?
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116965821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).