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

C12H14F3N3O2S — CID 155980924

IUPACN-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc(C(F)(F)F)cs2)CCO1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)9-6-21-11(17-9)18-3-4-20-8(5-18)10(19)16-7-1-2-7/h6-8H,1-5H2,(H,16,19)
InChIKeyKIGFDKPNLSOECZ-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.65
Rot. Bonds3

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

N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide (PubChem CID 155980924) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
PubChem CID155980924
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc(C(F)(F)F)cs2)CCO1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)9-6-21-11(17-9)18-3-4-20-8(5-18)10(19)16-7-1-2-7/h6-8H,1-5H2,(H,16,19)
InChIKeyKIGFDKPNLSOECZ-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide (CID 155980924) is N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide is O=C(NC1CC1)C1CN(c2nc(C(F)(F)F)cs2)CCO1.
What is the InChIKey of N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is KIGFDKPNLSOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c13-12(14,15)9-6-21-11(17-9)18-3-4-20-8(5-18)10(19)16-7-1-2-7/h6-8H,1-5H2,(H,16,19).
What are the key properties of N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 155980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).