3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide

C14H20N4OS — CID 66215515

IUPAC3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide
SMILESCCCN(CCC(=O)Nc1sccc1C#N)C1CNC1
InChIInChI=1S/C14H20N4OS/c1-2-5-18(12-9-16-10-12)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,12,16H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyOYLWUKBWZXGSFH-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.63
Rot. Bonds7

About 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide

3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 66215515) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID66215515
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide
SMILESCCCN(CCC(=O)Nc1sccc1C#N)C1CNC1
InChIInChI=1S/C14H20N4OS/c1-2-5-18(12-9-16-10-12)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,12,16H,2-3,5-6,9-10H2,1H3,(H,17,19)
InChIKeyOYLWUKBWZXGSFH-UHFFFAOYSA-N
XLogP1.63
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18088734
methyl 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]butanoate
CID 62013277
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
2-[butan-2-yl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]acetic acid
CID 60834541
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945166
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
N-(3-cyanothiophen-2-yl)-3-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094910
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
1-butyl-3-(3-cyanothiophen-2-yl)urea
CID 2078770
N-(3-cyanothiophen-2-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]propanamide
CID 38369227

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide (CID 66215515) is 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide is CCCN(CCC(=O)Nc1sccc1C#N)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is OYLWUKBWZXGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-5-18(12-9-16-10-12)6-3-13(19)17-14-11(8-15)4-7-20-14/h4,7,12,16H,2-3,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide?
3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(propyl)amino]-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 66215515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).