2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride

C13H23Cl2N3OS — CID 119892436

IUPAC2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC1CCCN1)c1nccs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-13(2,12-15-7-8-18-12)16-11(17)9-10-5-4-6-14-10;;/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,17);2*1H
InChIKeyMDQBHDHXWIWRBL-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.87
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride

2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride (PubChem CID 119892436) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
PubChem CID119892436
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC1CCCN1)c1nccs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-13(2,12-15-7-8-18-12)16-11(17)9-10-5-4-6-14-10;;/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,17);2*1H
InChIKeyMDQBHDHXWIWRBL-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892416
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
CID 122080556
1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
CID 119892403
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 175839939
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119758543

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride (CID 119892436) is 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is CCC(C)(NC(=O)CC1CCCN1)c1nccs1.Cl.Cl.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
The InChIKey is MDQBHDHXWIWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-3-13(2,12-15-7-8-18-12)16-11(17)9-10-5-4-6-14-10;;/h7-8,10,14H,3-6,9H2,1-2H3,(H,16,17);2*1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride?
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119892436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).