N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C12H20ClN3OS — CID 119735294

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1nc(NC(=O)C2(C)CCNC2)sc1C.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-4-9-8(2)17-11(14-9)15-10(16)12(3)5-6-13-7-12;/h13H,4-7H2,1-3H3,(H,14,15,16);1H
InChIKeyJTNLKHJXNVKVQT-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.37
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119735294) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119735294
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1nc(NC(=O)C2(C)CCNC2)sc1C.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-4-9-8(2)17-11(14-9)15-10(16)12(3)5-6-13-7-12;/h13H,4-7H2,1-3H3,(H,14,15,16);1H
InChIKeyJTNLKHJXNVKVQT-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-propylpiperidine-3-carboxamide
CID 63134965
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
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N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430638
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709341
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627325
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119861848
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 55734282
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 103821976
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119735294) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CCc1nc(NC(=O)C2(C)CCNC2)sc1C.Cl.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JTNLKHJXNVKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-4-9-8(2)17-11(14-9)15-10(16)12(3)5-6-13-7-12;/h13H,4-7H2,1-3H3,(H,14,15,16);1H.
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119735294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).