2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride

C11H19Cl2N3OS — CID 119451077

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NC2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-2-11-14-9(7-16-11)5-10(15)13-8-3-4-12-6-8;;/h7-8,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyIKIZXYSEYRVMHJ-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119451077) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119451077
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NC2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-2-11-14-9(7-16-11)5-10(15)13-8-3-4-12-6-8;;/h7-8,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyIKIZXYSEYRVMHJ-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120602063
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119428889
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95765998
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119426693
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111697089
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119451077) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride is CCc1nc(CC(=O)NC2CCNC2)cs1.Cl.Cl.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is IKIZXYSEYRVMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-2-11-14-9(7-16-11)5-10(15)13-8-3-4-12-6-8;;/h7-8,12H,2-6H2,1H3,(H,13,15);2*1H.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119451077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).