2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C23H22N4OS — CID 29329498

IUPAC2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C23H22N4OS/c24-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(28)26-23-25-18(16-29-23)15-27-12-6-1-7-13-27/h2-5,8-11,16H,1,6-7,12-13,15H2,(H,25,26,28)
InChIKeySPAGWXYXEPWXCO-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 29329498) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID29329498
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C23H22N4OS/c24-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(28)26-23-25-18(16-29-23)15-27-12-6-1-7-13-27/h2-5,8-11,16H,1,6-7,12-13,15H2,(H,25,26,28)
InChIKeySPAGWXYXEPWXCO-UHFFFAOYSA-N
XLogP4.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46536572
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418
2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide
CID 124732616
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 29329498) is 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SPAGWXYXEPWXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c24-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(28)26-23-25-18(16-29-23)15-27-12-6-1-7-13-27/h2-5,8-11,16H,1,6-7,12-13,15H2,(H,25,26,28).
What are the key properties of 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 29329498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).