2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide

C22H23N3OS — CID 47085916

IUPAC2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C22H23N3OS/c1-16-7-5-6-10-19(16)21(26)23-18-11-13-25(14-12-18)22-24-20(15-27-22)17-8-3-2-4-9-17/h2-10,15,18H,11-14H2,1H3,(H,23,26)
InChIKeyUAPVPRUTOKPBSG-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.52
Rot. Bonds4

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

2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide (PubChem CID 47085916) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
PubChem CID47085916
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C22H23N3OS/c1-16-7-5-6-10-19(16)21(26)23-18-11-13-25(14-12-18)22-24-20(15-27-22)17-8-3-2-4-9-17/h2-10,15,18H,11-14H2,1H3,(H,23,26)
InChIKeyUAPVPRUTOKPBSG-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 6489770
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 136511678
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119180811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide (CID 47085916) is 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
The InChIKey is UAPVPRUTOKPBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-7-5-6-10-19(16)21(26)23-18-11-13-25(14-12-18)22-24-20(15-27-22)17-8-3-2-4-9-17/h2-10,15,18H,11-14H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 47085916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).