N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C9H9F3N2O2S — CID 86981127

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)C1CCCO1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)6-4-17-8(13-6)14-7(15)5-2-1-3-16-5/h4-5H,1-3H2,(H,13,14,15)
InChIKeyKUOPHEKRTIZKRS-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.28
Rot. Bonds2

About N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 86981127) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID86981127
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)C1CCCO1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)6-4-17-8(13-6)14-7(15)5-2-1-3-16-5/h4-5H,1-3H2,(H,13,14,15)
InChIKeyKUOPHEKRTIZKRS-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 86981127) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)C1CCCO1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is KUOPHEKRTIZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)6-4-17-8(13-6)14-7(15)5-2-1-3-16-5/h4-5H,1-3H2,(H,13,14,15).
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 86981127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).