N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide

C23H25N3OS — CID 108767902

IUPACN-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C23H25N3OS/c1-17-7-5-6-14-26(17)16-21-15-24-23(28-21)25-22(27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-4,8-13,15,17H,5-7,14,16H2,1H3,(H,24,25,27)
InChIKeySLPWECUVRKCOIS-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.44
Rot. Bonds5

About N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide

N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide (PubChem CID 108767902) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
PubChem CID108767902
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C23H25N3OS/c1-17-7-5-6-14-26(17)16-21-15-24-23(28-21)25-22(27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-4,8-13,15,17H,5-7,14,16H2,1H3,(H,24,25,27)
InChIKeySLPWECUVRKCOIS-UHFFFAOYSA-N
XLogP5.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940
2-(2-chlorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108767954
4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108803161
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799662
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767973
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108802091

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide (CID 108767902) is N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide is CC1CCCCN1Cc1cnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide?
The InChIKey is SLPWECUVRKCOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17-7-5-6-14-26(17)16-21-15-24-23(28-21)25-22(27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-4,8-13,15,17H,5-7,14,16H2,1H3,(H,24,25,27).
What are the key properties of N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide?
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide has a molecular weight of 391.54 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 108767902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).