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

C25H30ClN5O3S — CID 53198727

IUPAC4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C25H30ClN5O3S/c1-5-30(6-2)25(33)18-14-27-24-21(15(3)29-35-24)22(18)31-11-9-16(10-12-31)23(32)28-19-13-17(26)7-8-20(19)34-4/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,28,32)
InChIKeyVSGMLLYSQZJZRN-UHFFFAOYSA-N
MW516.07 g/mol
LogP5.00
Rot. Bonds7

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

4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 53198727) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
PubChem CID53198727
Molecular FormulaC25H30ClN5O3S
Molecular Weight516.07 g/mol
Exact Mass515.18
IUPAC Name4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C25H30ClN5O3S/c1-5-30(6-2)25(33)18-14-27-24-21(15(3)29-35-24)22(18)31-11-9-16(10-12-31)23(32)28-19-13-17(26)7-8-20(19)34-4/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,28,32)
InChIKeyVSGMLLYSQZJZRN-UHFFFAOYSA-N
XLogP5.00
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.07
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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
N-(4-chlorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848640
N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929267
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223204
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
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
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 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) is 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is CCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VSGMLLYSQZJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3S/c1-5-30(6-2)25(33)18-14-27-24-21(15(3)29-35-24)22(18)31-11-9-16(10-12-31)23(32)28-19-13-17(26)7-8-20(19)34-4/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,28,32).
What are the key properties of 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 516.07 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 53198727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).