N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide

C23H25N3OS — CID 175846923

IUPACN-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CN3CCCCC3)s2)cccc1-c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-17-20(18-9-4-2-5-10-18)11-8-12-21(17)25-22(27)23-24-15-19(28-23)16-26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H,25,27)
InChIKeyBCJRJXGQLGXKMN-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.36
Rot. Bonds5

About N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide

N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide (PubChem CID 175846923) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
PubChem CID175846923
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CN3CCCCC3)s2)cccc1-c1ccccc1
InChIInChI=1S/C23H25N3OS/c1-17-20(18-9-4-2-5-10-18)11-8-12-21(17)25-22(27)23-24-15-19(28-23)16-26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H,25,27)
InChIKeyBCJRJXGQLGXKMN-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
CID 175846872
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-(piperidin-1-ylmethyl)phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-5-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxamide
CID 134323700
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
CID 146987986
1-[[5-methyl-2-[(2-methyl-3-phenylphenyl)carbamoyl]-4-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 167006153
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618473
lithium 5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-carboxylate
CID 164526442
6-(4-benzylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354399
5-[[(2S)-2-(dihydroxymethyl)piperidin-1-yl]methyl]-6-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 167006152
(2R)-2-[[4-cyclopropyl-6-[[3-[3-[[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methylamino]-3-hydroxypropanoic acid
CID 166042066
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide (CID 175846923) is N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2ncc(CN3CCCCC3)s2)cccc1-c1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is BCJRJXGQLGXKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17-20(18-9-4-2-5-10-18)11-8-12-21(17)25-22(27)23-24-15-19(28-23)16-26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H,25,27).
What are the key properties of N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide?
N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175846923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).