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

C10H8N2O2S2 — CID 114360153

IUPAC4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cscn2)nc1C1CC1
InChIInChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-15-4-11-6/h3-5H,1-2H2,(H,13,14)
InChIKeyYTCHYJNRTIHFIK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.84
Rot. Bonds3

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

4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360153) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360153
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cscn2)nc1C1CC1
InChIInChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-15-4-11-6/h3-5H,1-2H2,(H,13,14)
InChIKeyYTCHYJNRTIHFIK-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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid (CID 114360153) is 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cscn2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YTCHYJNRTIHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-10(14)8-7(5-1-2-5)12-9(16-8)6-3-15-4-11-6/h3-5H,1-2H2,(H,13,14).
What are the key properties of 4-cyclopropyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(1,3-thiazol-4-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-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).