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

C24H26N4O2S — CID 1096819

IUPACN-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-7-9-20(10-8-17)26-24-27-21(16-31-24)23(30)28-13-11-19(12-14-28)22(29)25-15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyQCIJPNHRQJMCBP-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.36
Rot. Bonds6

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

N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1096819) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID1096819
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C24H26N4O2S/c1-17-7-9-20(10-8-17)26-24-27-21(16-31-24)23(30)28-13-11-19(12-14-28)22(29)25-15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyQCIJPNHRQJMCBP-UHFFFAOYSA-N
XLogP4.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 1096819) is N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cs2)cc1.
What is the InChIKey of N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is QCIJPNHRQJMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-7-9-20(10-8-17)26-24-27-21(16-31-24)23(30)28-13-11-19(12-14-28)22(29)25-15-18-5-3-2-4-6-18/h2-10,16,19H,11-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1096819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).