N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H23N3O2S2 — CID 16561302

IUPACN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-16-4-6-17(7-5-16)15-25-12-14-29-22(25)23-20(26)18-8-10-24(11-9-18)21(27)19-3-2-13-28-19/h2-7,12-14,18H,8-11,15H2,1H3/b23-22+
InChIKeyJQZRHSJTYVSCBF-GHVJWSGMSA-N
MW425.58 g/mol
LogP3.95
Rot. Bonds4

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 16561302) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID16561302
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N/C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C22H23N3O2S2/c1-16-4-6-17(7-5-16)15-25-12-14-29-22(25)23-20(26)18-8-10-24(11-9-18)21(27)19-3-2-13-28-19/h2-7,12-14,18H,8-11,15H2,1H3/b23-22+
InChIKeyJQZRHSJTYVSCBF-GHVJWSGMSA-N
XLogP3.95
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
CID 16582598
cis-(1S,2R)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide
CID 51950675
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
4-acetyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18268886
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98421146
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18119295
[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556646
ethyl 1-[3-[[(2Z)-2-(4-methylphenyl)sulfonylimino-1,3-thiazol-3-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 83288072

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 16561302) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(Cn2ccs/c2=N/C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JQZRHSJTYVSCBF-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-16-4-6-17(7-5-16)15-25-12-14-29-22(25)23-20(26)18-8-10-24(11-9-18)21(27)19-3-2-13-28-19/h2-7,12-14,18H,8-11,15H2,1H3/b23-22+.
What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).