N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide

C18H23N3OS2 — CID 72858598

IUPACN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide
SMILESCSCc1nc(CNC(=O)c2ccc(C3CCCNC3)cc2)cs1
InChIInChI=1S/C18H23N3OS2/c1-23-12-17-21-16(11-24-17)10-20-18(22)14-6-4-13(5-7-14)15-3-2-8-19-9-15/h4-7,11,15,19H,2-3,8-10,12H2,1H3,(H,20,22)
InChIKeyGYJVWTSJWSFOCE-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.40
Rot. Bonds6

About N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide

N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide (PubChem CID 72858598) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide
PubChem CID72858598
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide
SMILESCSCc1nc(CNC(=O)c2ccc(C3CCCNC3)cc2)cs1
InChIInChI=1S/C18H23N3OS2/c1-23-12-17-21-16(11-24-17)10-20-18(22)14-6-4-13(5-7-14)15-3-2-8-19-9-15/h4-7,11,15,19H,2-3,8-10,12H2,1H3,(H,20,22)
InChIKeyGYJVWTSJWSFOCE-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97210642
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97207201
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 95230442
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74246698
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide (CID 72858598) is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide is CSCc1nc(CNC(=O)c2ccc(C3CCCNC3)cc2)cs1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide?
The InChIKey is GYJVWTSJWSFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-23-12-17-21-16(11-24-17)10-20-18(22)14-6-4-13(5-7-14)15-3-2-8-19-9-15/h4-7,11,15,19H,2-3,8-10,12H2,1H3,(H,20,22).
What are the key properties of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide?
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide has a molecular weight of 361.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 72858598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).