1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride

C13H22Cl2N4O2S — CID 120564792

IUPAC1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(N)CCC(=O)N1CCCC1C(=O)Nc1nccs1.Cl.Cl
InChIInChI=1S/C13H20N4O2S.2ClH/c1-9(14)4-5-11(18)17-7-2-3-10(17)12(19)16-13-15-6-8-20-13;;/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,19);2*1H
InChIKeyYALXGBWVFDCHAZ-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride

1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 120564792) has the molecular formula C13H22Cl2N4O2S and a molecular weight of 369.32 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID120564792
Molecular FormulaC13H22Cl2N4O2S
Molecular Weight369.32 g/mol
Exact Mass368.08
IUPAC Name1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(N)CCC(=O)N1CCCC1C(=O)Nc1nccs1.Cl.Cl
InChIInChI=1S/C13H20N4O2S.2ClH/c1-9(14)4-5-11(18)17-7-2-3-10(17)12(19)16-13-15-6-8-20-13;;/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,19);2*1H
InChIKeyYALXGBWVFDCHAZ-UHFFFAOYSA-N
XLogP2.04
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 154802314
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534
(2S)-1-(3-ethoxybenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94604846
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 86818508
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 42961197
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120798506
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 126792661

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride (CID 120564792) is 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride is CC(N)CCC(=O)N1CCCC1C(=O)Nc1nccs1.Cl.Cl.
What is the InChIKey of 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is YALXGBWVFDCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.2ClH/c1-9(14)4-5-11(18)17-7-2-3-10(17)12(19)16-13-15-6-8-20-13;;/h6,8-10H,2-5,7,14H2,1H3,(H,15,16,19);2*1H.
What are the key properties of 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride?
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 369.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).