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

C10H12F3N3O2S — CID 165434395

IUPACN-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc(C(F)(F)F)cs2)CCO1
InChIInChI=1S/C10H12F3N3O2S/c1-14-8(17)6-4-16(2-3-18-6)9-15-7(5-19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyDLGNXNXWJHIDOO-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.11
Rot. Bonds2

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

N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide (PubChem CID 165434395) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
PubChem CID165434395
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC NameN-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2nc(C(F)(F)F)cs2)CCO1
InChIInChI=1S/C10H12F3N3O2S/c1-14-8(17)6-4-16(2-3-18-6)9-15-7(5-19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17)
InChIKeyDLGNXNXWJHIDOO-UHFFFAOYSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide (CID 165434395) is N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide is CNC(=O)C1CN(c2nc(C(F)(F)F)cs2)CCO1.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is DLGNXNXWJHIDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-14-8(17)6-4-16(2-3-18-6)9-15-7(5-19-9)10(11,12)13/h5-6H,2-4H2,1H3,(H,14,17).
What are the key properties of N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide?
N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 165434395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).