4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile

C17H18N4OS — CID 75499312

IUPAC4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
SMILESCN(Cc1nccs1)C1CCCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C17H18N4OS/c1-20(12-16-19-8-10-23-16)15-3-2-9-21(17(15)22)14-6-4-13(11-18)5-7-14/h4-8,10,15H,2-3,9,12H2,1H3
InChIKeyRDNFOFXEGIBKMN-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.64
Rot. Bonds4

About 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile

4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile (PubChem CID 75499312) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
PubChem CID75499312
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
SMILESCN(Cc1nccs1)C1CCCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C17H18N4OS/c1-20(12-16-19-8-10-23-16)15-3-2-9-21(17(15)22)14-6-4-13(11-18)5-7-14/h4-8,10,15H,2-3,9,12H2,1H3
InChIKeyRDNFOFXEGIBKMN-UHFFFAOYSA-N
XLogP2.64
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The IUPAC name of 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile (CID 75499312) is 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile is CN(Cc1nccs1)C1CCCN(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The InChIKey is RDNFOFXEGIBKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20(12-16-19-8-10-23-16)15-3-2-9-21(17(15)22)14-6-4-13(11-18)5-7-14/h4-8,10,15H,2-3,9,12H2,1H3.
What are the key properties of 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile has a molecular weight of 326.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile is sourced from PubChem (CID 75499312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).