N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C18H24Cl2N4O2S — CID 119439649

IUPACN-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C18H22N4O2S.2ClH/c1-2-19-11-13-6-3-4-7-15(13)21-16(23)10-14-12-25-18(20-14)22-9-5-8-17(22)24;;/h3-4,6-7,12,19H,2,5,8-11H2,1H3,(H,21,23);2*1H
InChIKeyRWTXXEXCTREHHB-UHFFFAOYSA-N
MW431.39 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119439649) has the molecular formula C18H24Cl2N4O2S and a molecular weight of 431.39 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119439649
Molecular FormulaC18H24Cl2N4O2S
Molecular Weight431.39 g/mol
Exact Mass430.10
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C18H22N4O2S.2ClH/c1-2-19-11-13-6-3-4-7-15(13)21-16(23)10-14-12-25-18(20-14)22-9-5-8-17(22)24;;/h3-4,6-7,12,19H,2,5,8-11H2,1H3,(H,21,23);2*1H
InChIKeyRWTXXEXCTREHHB-UHFFFAOYSA-N
XLogP3.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 18200073
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 38169001
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-(2,5-dibromophenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39166455
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119439937
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27800997
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667697
N-(2-methyl-4-propan-2-yloxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55887427
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119439649) is N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CCNCc1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is RWTXXEXCTREHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S.2ClH/c1-2-19-11-13-6-3-4-7-15(13)21-16(23)10-14-12-25-18(20-14)22-9-5-8-17(22)24;;/h3-4,6-7,12,19H,2,5,8-11H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 431.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119439649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).