2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C17H20N4OS — CID 90544631

IUPAC2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H20N4OS/c1-23-14-8-4-3-7-13(14)17(22)20-15-11-16(19-12-18-15)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19,20,22)
InChIKeyFSUZBUJSYMZYDX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.44
Rot. Bonds4

About 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 90544631) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID90544631
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H20N4OS/c1-23-14-8-4-3-7-13(14)17(22)20-15-11-16(19-12-18-15)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19,20,22)
InChIKeyFSUZBUJSYMZYDX-UHFFFAOYSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544989
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 90544631) is 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is CSc1ccccc1C(=O)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is FSUZBUJSYMZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-23-14-8-4-3-7-13(14)17(22)20-15-11-16(19-12-18-15)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19,20,22).
What are the key properties of 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 90544631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).