1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C23H31N5O3S — CID 654206

IUPAC1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)cs2)cc1
InChIInChI=1S/C23H31N5O3S/c1-17-2-4-19(5-3-17)25-23-26-20(16-32-23)22(30)28-9-6-18(7-10-28)21(29)24-8-11-27-12-14-31-15-13-27/h2-5,16,18H,6-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyUDBAETZUBBTMEY-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.50
Rot. Bonds7

About 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 654206) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID654206
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)cs2)cc1
InChIInChI=1S/C23H31N5O3S/c1-17-2-4-19(5-3-17)25-23-26-20(16-32-23)22(30)28-9-6-18(7-10-28)21(29)24-8-11-27-12-14-31-15-13-27/h2-5,16,18H,6-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyUDBAETZUBBTMEY-UHFFFAOYSA-N
XLogP2.50
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956609
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
N-benzyl-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096819
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 71818282
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155524556
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155534821
2-[(4-methylphenyl)amino]-N-(tetrahydrofuran-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3160506
1-[4-(4-Acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
US11319299, Example 620
CID 138551538
US20230399319, Example 2-065
CID 156549496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 654206) is 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)cs2)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is UDBAETZUBBTMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-17-2-4-19(5-3-17)25-23-26-20(16-32-23)22(30)28-9-6-18(7-10-28)21(29)24-8-11-27-12-14-31-15-13-27/h2-5,16,18H,6-15H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 654206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).