1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C27H33N5O3S — CID 53198674

IUPAC1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(c3c(C(=O)N4CCOCC4)cnc4snc(C)c34)CC2)c(C)c1
InChIInChI=1S/C27H33N5O3S/c1-16-13-17(2)23(18(3)14-16)29-25(33)20-5-7-31(8-6-20)24-21(27(34)32-9-11-35-12-10-32)15-28-26-22(24)19(4)30-36-26/h13-15,20H,5-12H2,1-4H3,(H,29,33)
InChIKeyRJLAOHGEAZIFKQ-UHFFFAOYSA-N
MW507.66 g/mol
LogP4.25
Rot. Bonds4

About 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 53198674) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID53198674
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC Name1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(c3c(C(=O)N4CCOCC4)cnc4snc(C)c34)CC2)c(C)c1
InChIInChI=1S/C27H33N5O3S/c1-16-13-17(2)23(18(3)14-16)29-25(33)20-5-7-31(8-6-20)24-21(27(34)32-9-11-35-12-10-32)15-28-26-22(24)19(4)30-36-26/h13-15,20H,5-12H2,1-4H3,(H,29,33)
InChIKeyRJLAOHGEAZIFKQ-UHFFFAOYSA-N
XLogP4.25
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 53198674) is 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(c3c(C(=O)N4CCOCC4)cnc4snc(C)c34)CC2)c(C)c1.
What is the InChIKey of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is RJLAOHGEAZIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-16-13-17(2)23(18(3)14-16)29-25(33)20-5-7-31(8-6-20)24-21(27(34)32-9-11-35-12-10-32)15-28-26-22(24)19(4)30-36-26/h13-15,20H,5-12H2,1-4H3,(H,29,33).
What are the key properties of 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53198674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).