N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C12H16F3N3O2S — CID 121526917

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC(C1=NC=CS1)NC(=O)C2COCCN2CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-8(11-16-2-5-21-11)17-10(19)9-6-20-4-3-18(9)7-12(13,14)15/h2,5,8-9H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyKNXPQOYHMKNHPE-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.30
Rot. Bonds4

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

N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 121526917) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID121526917
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCC(C1=NC=CS1)NC(=O)C2COCCN2CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-8(11-16-2-5-21-11)17-10(19)9-6-20-4-3-18(9)7-12(13,14)15/h2,5,8-9H,3-4,6-7H2,1H3,(H,17,19)
InChIKeyKNXPQOYHMKNHPE-UHFFFAOYSA-N
XLogP1.30
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity370

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
CID 96519867
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4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
CID 100057946
2-[(2R,6S)-2,6-Dimethylmorpholin-4-YL]-N-[3-(1,3-thiazol-2-YL)propyl]acetamide
CID 118763842
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
[3-Oxo-3-(1,3-thiazol-2-ylmethylamino)-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 22916692
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CID 54162880
2-[(N-trifluoroacetyl-L-seryl)amino]methylthiazole
CID 54162881
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244432
2-[(O-acetyl-N-trifluoroacetyl-D-seryl)amino]methylthiazole
CID 54363709
2-[(O-acetyl-N-trifluoroacetyl-L-seryl)amino]methylthiazole
CID 54363710

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 121526917) is N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is CC(C1=NC=CS1)NC(=O)C2COCCN2CC(F)(F)F.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is KNXPQOYHMKNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-8(11-16-2-5-21-11)17-10(19)9-6-20-4-3-18(9)7-12(13,14)15/h2,5,8-9H,3-4,6-7H2,1H3,(H,17,19).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 121526917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).