N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

C27H35N5O2S — CID 53198719

IUPACN,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C27H35N5O2S/c1-7-31(8-2)27(34)21-15-28-26-22(19(6)30-35-26)24(21)32-11-9-20(10-12-32)25(33)29-23-17(4)13-16(3)14-18(23)5/h13-15,20H,7-12H2,1-6H3,(H,29,33)
InChIKeyPWTZQWLSAISTPY-UHFFFAOYSA-N
MW493.68 g/mol
LogP5.26
Rot. Bonds6

About N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 53198719) has the molecular formula C27H35N5O2S and a molecular weight of 493.68 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
PubChem CID53198719
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC NameN,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C27H35N5O2S/c1-7-31(8-2)27(34)21-15-28-26-22(19(6)30-35-26)24(21)32-11-9-20(10-12-32)25(33)29-23-17(4)13-16(3)14-18(23)5/h13-15,20H,7-12H2,1-6H3,(H,29,33)
InChIKeyPWTZQWLSAISTPY-UHFFFAOYSA-N
XLogP5.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198717
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
4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198716
4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198727
N-(2,6-dimethylphenyl)-1-[3-methyl-5-(4-methylpiperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198617
N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848835
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198565
1-[3-methyl-5-(morpholine-4-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53198678
1-[3-methyl-5-(piperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53198598
N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848674
N-(4-methoxyphenyl)-1-[3-methyl-5-(4-methylpiperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198609
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (CID 53198719) is N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is CCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is PWTZQWLSAISTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-7-31(8-2)27(34)21-15-28-26-22(19(6)30-35-26)24(21)32-11-9-20(10-12-32)25(33)29-23-17(4)13-16(3)14-18(23)5/h13-15,20H,7-12H2,1-6H3,(H,29,33).
What are the key properties of N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 53198719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).