cyclopropyl 1,3-thiazole-4-carboxylate

C7H7NO2S — CID 130776979

IUPACcyclopropyl 1,3-thiazole-4-carboxylate
SMILESO=C(OC1CC1)c1cscn1
InChIInChI=1S/C7H7NO2S/c9-7(10-5-1-2-5)6-3-11-4-8-6/h3-5H,1-2H2
InChIKeyMMRZKEHSSPCUSN-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.46
Rot. Bonds2

About cyclopropyl 1,3-thiazole-4-carboxylate

cyclopropyl 1,3-thiazole-4-carboxylate (PubChem CID 130776979) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is cyclopropyl 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl 1,3-thiazole-4-carboxylate
PubChem CID130776979
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Namecyclopropyl 1,3-thiazole-4-carboxylate
SMILESO=C(OC1CC1)c1cscn1
InChIInChI=1S/C7H7NO2S/c9-7(10-5-1-2-5)6-3-11-4-8-6/h3-5H,1-2H2
InChIKeyMMRZKEHSSPCUSN-UHFFFAOYSA-N
XLogP1.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 1,3-thiazole-4-carboxylate?
The IUPAC name of cyclopropyl 1,3-thiazole-4-carboxylate (CID 130776979) is cyclopropyl 1,3-thiazole-4-carboxylate.
What is the SMILES notation for cyclopropyl 1,3-thiazole-4-carboxylate?
The canonical SMILES for cyclopropyl 1,3-thiazole-4-carboxylate is O=C(OC1CC1)c1cscn1.
What is the InChIKey of cyclopropyl 1,3-thiazole-4-carboxylate?
The InChIKey is MMRZKEHSSPCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10-5-1-2-5)6-3-11-4-8-6/h3-5H,1-2H2.
What are the key properties of cyclopropyl 1,3-thiazole-4-carboxylate?
cyclopropyl 1,3-thiazole-4-carboxylate has a molecular weight of 169.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 130776979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).