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

C12H16F3N3O2S — CID 119813876

IUPACN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide
SMILESCCC(NC(=O)C1CNCCO1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H16F3N3O2S/c1-2-7(11-18-9(6-21-11)12(13,14)15)17-10(19)8-5-16-3-4-20-8/h6-8,16H,2-5H2,1H3,(H,17,19)
InChIKeyKHFVYVOSPPLZAS-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.72
Rot. Bonds4

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

N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide (PubChem CID 119813876) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide
PubChem CID119813876
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide
SMILESCCC(NC(=O)C1CNCCO1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H16F3N3O2S/c1-2-7(11-18-9(6-21-11)12(13,14)15)17-10(19)8-5-16-3-4-20-8/h6-8,16H,2-5H2,1H3,(H,17,19)
InChIKeyKHFVYVOSPPLZAS-UHFFFAOYSA-N
XLogP1.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119813851
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119886495
2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
CID 119940258
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
1,3-dimethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906693
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide (CID 119813876) is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide is CCC(NC(=O)C1CNCCO1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide?
The InChIKey is KHFVYVOSPPLZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-2-7(11-18-9(6-21-11)12(13,14)15)17-10(19)8-5-16-3-4-20-8/h6-8,16H,2-5H2,1H3,(H,17,19).
What are the key properties of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide?
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119813876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).