4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid

C10H8N2O2S2 — CID 114360208

IUPAC4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cncs2)nc1C1CC1
InChIInChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-11-4-15-6/h3-5H,1-2H2,(H,13,14)
InChIKeyWQGPGFXFJOBUPD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.84
Rot. Bonds3

About 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360208) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360208
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cncs2)nc1C1CC1
InChIInChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-11-4-15-6/h3-5H,1-2H2,(H,13,14)
InChIKeyWQGPGFXFJOBUPD-UHFFFAOYSA-N
XLogP2.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360260
4-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360885
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
2-(3-bromofuran-2-yl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 106886088
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360827
4-methyl-N-phenyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 166359838

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid (CID 114360208) is 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cncs2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WQGPGFXFJOBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-11-4-15-6/h3-5H,1-2H2,(H,13,14).
What are the key properties of 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).