2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

C10H17ClN4OS — CID 119905232

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)13-9(15)5-14-3-2-8(11)4-14;/h6,8H,2-5,11H2,1H3,(H,12,13,15);1H/t8-;/m1./s1
InChIKeyIENHDXVUSPCFIW-DDWIOCJRSA-N
MW276.79 g/mol
LogP0.84
Rot. Bonds3

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 119905232) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID119905232
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)13-9(15)5-14-3-2-8(11)4-14;/h6,8H,2-5,11H2,1H3,(H,12,13,15);1H/t8-;/m1./s1
InChIKeyIENHDXVUSPCFIW-DDWIOCJRSA-N
XLogP0.84
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773480
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 119905232) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is Cc1csc(NC(=O)CN2CC[C@@H](N)C2)n1.Cl.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is IENHDXVUSPCFIW-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)13-9(15)5-14-3-2-8(11)4-14;/h6,8H,2-5,11H2,1H3,(H,12,13,15);1H/t8-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).