2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

C9H9F3N2O2S — CID 62754677

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)4-14(5-1-2-5)8-13-3-6(17-8)7(15)16/h3,5H,1-2,4H2,(H,15,16)
InChIKeyBCCKEXANPHAGDO-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.37
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62754677) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62754677
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)4-14(5-1-2-5)8-13-3-6(17-8)7(15)16/h3,5H,1-2,4H2,(H,15,16)
InChIKeyBCCKEXANPHAGDO-UHFFFAOYSA-N
XLogP2.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62754677) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BCCKEXANPHAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)4-14(5-1-2-5)8-13-3-6(17-8)7(15)16/h3,5H,1-2,4H2,(H,15,16).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62754677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).