2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride

C13H20ClF3N4O2S — CID 120811548

IUPAC2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1.Cl
InChIInChI=1S/C13H19F3N4O2S.ClH/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20;/h8,10,17H,2-7H2,1H3,(H,18,21);1H
InChIKeyVKIZLTZRYWJRCJ-UHFFFAOYSA-N
MW388.84 g/mol
LogP1.28
Rot. Bonds6

About 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120811548) has the molecular formula C13H20ClF3N4O2S and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120811548
Molecular FormulaC13H20ClF3N4O2S
Molecular Weight388.84 g/mol
Exact Mass388.09
IUPAC Name2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1.Cl
InChIInChI=1S/C13H19F3N4O2S.ClH/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20;/h8,10,17H,2-7H2,1H3,(H,18,21);1H
InChIKeyVKIZLTZRYWJRCJ-UHFFFAOYSA-N
XLogP1.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
2-methyl-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786
Ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51119730
N-[(3R*,4R*)-4-(4-methyl-1-piperazinyl)tetrahydro-3-furanyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72933096
2-(2-hydroxyethoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 49792699
(3S*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3-methoxypiperidin-4-amine
CID 56861480
2-(methoxymethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 60338348
2-isopropyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 91832568
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 132386748
N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 23053866

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120811548) is 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride is COCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1.Cl.
What is the InChIKey of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VKIZLTZRYWJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S.ClH/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20;/h8,10,17H,2-7H2,1H3,(H,18,21);1H.
What are the key properties of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 388.84 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120811548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).