N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C23H28N4OS2 — CID 56585989

IUPACN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C3CCN(Cc4csc(C)n4)CC3)cs2)cc1
InChIInChI=1S/C23H28N4OS2/c1-16-3-5-19(6-4-16)23-26-20(14-30-23)7-10-24-22(28)18-8-11-27(12-9-18)13-21-15-29-17(2)25-21/h3-6,14-15,18H,7-13H2,1-2H3,(H,24,28)
InChIKeyZZZIOXYWVKXUMV-UHFFFAOYSA-N
MW440.64 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56585989) has the molecular formula C23H28N4OS2 and a molecular weight of 440.64 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56585989
Molecular FormulaC23H28N4OS2
Molecular Weight440.64 g/mol
Exact Mass440.17
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)C3CCN(Cc4csc(C)n4)CC3)cs2)cc1
InChIInChI=1S/C23H28N4OS2/c1-16-3-5-19(6-4-16)23-26-20(14-30-23)7-10-24-22(28)18-8-11-27(12-9-18)13-21-15-29-17(2)25-21/h3-6,14-15,18H,7-13H2,1-2H3,(H,24,28)
InChIKeyZZZIOXYWVKXUMV-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56585989) is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1ccc(-c2nc(CCNC(=O)C3CCN(Cc4csc(C)n4)CC3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZZZIOXYWVKXUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS2/c1-16-3-5-19(6-4-16)23-26-20(14-30-23)7-10-24-22(28)18-8-11-27(12-9-18)13-21-15-29-17(2)25-21/h3-6,14-15,18H,7-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 440.64 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56585989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).