2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119503859

IUPAC2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-9-11(12(17)15-8-7-14-2)18-13(16-9)10-5-3-4-6-10;;/h10,14H,3-8H2,1-2H3,(H,15,17);2*1H
InChIKeyMBDICYDKTYUTAZ-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.90
Rot. Bonds5

About 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride

2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119503859) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119503859
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-9-11(12(17)15-8-7-14-2)18-13(16-9)10-5-3-4-6-10;;/h10,14H,3-8H2,1-2H3,(H,15,17);2*1H
InChIKeyMBDICYDKTYUTAZ-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
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CID 119227413
N-butyl-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694293
2-cyclopentyl-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119448744
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119588404
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
CID 154845596
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226615
1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176594
2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 96563419

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119503859) is 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride is CNCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl.
What is the InChIKey of 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is MBDICYDKTYUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-9-11(12(17)15-8-7-14-2)18-13(16-9)10-5-3-4-6-10;;/h10,14H,3-8H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119503859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).