2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

C11H16N4O2S — CID 114094153

IUPAC2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(CCN)n2)C1=O
InChIInChI=1S/C11H16N4O2S/c1-15-5-3-7(11(15)17)14-10(16)8-6-18-9(13-8)2-4-12/h6-7H,2-5,12H2,1H3,(H,14,16)
InChIKeyOFXVCFKGYGXKGX-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.40
Rot. Bonds4

About 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 114094153) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID114094153
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(CCN)n2)C1=O
InChIInChI=1S/C11H16N4O2S/c1-15-5-3-7(11(15)17)14-10(16)8-6-18-9(13-8)2-4-12/h6-7H,2-5,12H2,1H3,(H,14,16)
InChIKeyOFXVCFKGYGXKGX-UHFFFAOYSA-N
XLogP-0.40
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798
2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120637990
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120633333
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120636505
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 114094153) is 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is CN1CCC(NC(=O)c2csc(CCN)n2)C1=O.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OFXVCFKGYGXKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-15-5-3-7(11(15)17)14-10(16)8-6-18-9(13-8)2-4-12/h6-7H,2-5,12H2,1H3,(H,14,16).
What are the key properties of 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114094153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).