5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid

C10H12F2N2O2S — CID 103200018

IUPAC5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCC(F)(F)CC2)nc1C(=O)O
InChIInChI=1S/C10H12F2N2O2S/c11-10(12)3-1-5(2-4-10)8-14-6(9(15)16)7(13)17-8/h5H,1-4,13H2,(H,15,16)
InChIKeyIEVMJMOCJINKJA-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.72
Rot. Bonds2

About 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103200018) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid
PubChem CID103200018
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCC(F)(F)CC2)nc1C(=O)O
InChIInChI=1S/C10H12F2N2O2S/c11-10(12)3-1-5(2-4-10)8-14-6(9(15)16)7(13)17-8/h5H,1-4,13H2,(H,15,16)
InChIKeyIEVMJMOCJINKJA-UHFFFAOYSA-N
XLogP2.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid (CID 103200018) is 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(C2CCC(F)(F)CC2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IEVMJMOCJINKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-10(12)3-1-5(2-4-10)8-14-6(9(15)16)7(13)17-8/h5H,1-4,13H2,(H,15,16).
What are the key properties of 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).