N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide

C11H16N4O2S — CID 113402246

IUPACN-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H16N4O2S/c1-7(16)13-8-2-3-15(5-8)11(17)9-6-18-10(4-12)14-9/h6,8H,2-5,12H2,1H3,(H,13,16)
InChIKeyPPJGCUIAOYOMQR-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.05
Rot. Bonds3

About N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 113402246) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID113402246
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C11H16N4O2S/c1-7(16)13-8-2-3-15(5-8)11(17)9-6-18-10(4-12)14-9/h6,8H,2-5,12H2,1H3,(H,13,16)
InChIKeyPPJGCUIAOYOMQR-UHFFFAOYSA-N
XLogP-0.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893005
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide (CID 113402246) is N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PPJGCUIAOYOMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(16)13-8-2-3-15(5-8)11(17)9-6-18-10(4-12)14-9/h6,8H,2-5,12H2,1H3,(H,13,16).
What are the key properties of N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 268.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).