trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid

C7H7NO2S — CID 135344708

IUPACtrans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cnsc1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyCKFAXFGIJZMEGV-NTSWFWBYSA-N
MW169.21 g/mol
LogP1.33
Rot. Bonds2

About trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 135344708) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID135344708
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Nametrans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cnsc1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyCKFAXFGIJZMEGV-NTSWFWBYSA-N
XLogP1.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid (CID 135344708) is trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1cnsc1.
What is the InChIKey of trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CKFAXFGIJZMEGV-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 169.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135344708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).