2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide

C14H22N4OS — CID 120772381

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N4OS/c1-14(8-15)5-6-18(9-14)7-12(19)17-13-16-10-3-2-4-11(10)20-13/h2-9,15H2,1H3,(H,16,17,19)
InChIKeyHIBUIGPKANXJIQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.24
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 120772381) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
PubChem CID120772381
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N4OS/c1-14(8-15)5-6-18(9-14)7-12(19)17-13-16-10-3-2-4-11(10)20-13/h2-9,15H2,1H3,(H,16,17,19)
InChIKeyHIBUIGPKANXJIQ-UHFFFAOYSA-N
XLogP1.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 79328104
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 30376724
2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 104678033
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 33039276
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 134813121
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 155991921
2-(5-amino-2-oxo-1-pyridinyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 62816537
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 167780109
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (CID 120772381) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is CC1(CN)CCN(CC(=O)Nc2nc3c(s2)CCC3)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is HIBUIGPKANXJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(8-15)5-6-18(9-14)7-12(19)17-13-16-10-3-2-4-11(10)20-13/h2-9,15H2,1H3,(H,16,17,19).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 120772381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).