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

C12H17ClF3N3OS — CID 119340899

IUPACN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CCCN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H16F3N3OS.ClH/c1-2-7(17-10(19)8-4-3-5-16-8)11-18-9(6-20-11)12(13,14)15;/h6-8,16H,2-5H2,1H3,(H,17,19);1H
InChIKeyQHBFIADABMKTQM-UHFFFAOYSA-N
MW343.80 g/mol
LogP2.90
Rot. Bonds4

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

N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119340899) has the molecular formula C12H17ClF3N3OS and a molecular weight of 343.80 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119340899
Molecular FormulaC12H17ClF3N3OS
Molecular Weight343.80 g/mol
Exact Mass343.07
IUPAC NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CCCN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H16F3N3OS.ClH/c1-2-7(17-10(19)8-4-3-5-16-8)11-18-9(6-20-11)12(13,14)15;/h6-8,16H,2-5H2,1H3,(H,17,19);1H
InChIKeyQHBFIADABMKTQM-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119813851
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide
CID 119813876
2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
CID 119940258
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119335999
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906713
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 99783883

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119340899) is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride is CCC(NC(=O)C1CCCN1)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QHBFIADABMKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS.ClH/c1-2-7(17-10(19)8-4-3-5-16-8)11-18-9(6-20-11)12(13,14)15;/h6-8,16H,2-5H2,1H3,(H,17,19);1H.
What are the key properties of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 343.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119340899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).