N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C12H21Cl2N3OS — CID 119896093

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)CC2CCCN2)s1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-2-10-7-15-12(17-10)8-14-11(16)6-9-4-3-5-13-9;;/h7,9,13H,2-6,8H2,1H3,(H,14,16);2*1H
InChIKeyVXGSPPJJYMTZES-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.31
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119896093) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119896093
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)CC2CCCN2)s1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-2-10-7-15-12(17-10)8-14-11(16)6-9-4-3-5-13-9;;/h7,9,13H,2-6,8H2,1H3,(H,14,16);2*1H
InChIKeyVXGSPPJJYMTZES-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119896878
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119896093) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CCc1cnc(CNC(=O)CC2CCCN2)s1.Cl.Cl.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is VXGSPPJJYMTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-2-10-7-15-12(17-10)8-14-11(16)6-9-4-3-5-13-9;;/h7,9,13H,2-6,8H2,1H3,(H,14,16);2*1H.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119896093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).