N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C23H24N4O3S — CID 155566743

IUPACN-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C23H24N4O3S/c1-14-4-6-15(7-5-14)24-21(28)17-12-16(30-3)8-9-18(17)25-22(29)23-26-19-10-11-27(2)13-20(19)31-23/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDJYQRCLAJQWRPF-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.95
Rot. Bonds5

About N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155566743) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155566743
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C23H24N4O3S/c1-14-4-6-15(7-5-14)24-21(28)17-12-16(30-3)8-9-18(17)25-22(29)23-26-19-10-11-27(2)13-20(19)31-23/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDJYQRCLAJQWRPF-UHFFFAOYSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-dione
CID 11597005
N-[4-[(3-Methoxybenzoyl)amino]phenyl]-4-thiazolecarboxamide
CID 90144326
2,4-Dimethyl-thiazole-5-carboxylic acid [cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-o-tolyl-amide
CID 3215408
2,4-Dimethyl-thiazole-5-carboxylic acid (4-acetyl-phenyl)-[cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-amide
CID 3215410
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215427
3-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
CID 70683742
N-hydroxy-5-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 70686159
(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713466
N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155513763
N-[2-[(3-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155517733
N-[4-methoxy-2-[(4-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155526963
N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533619

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155566743) is N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DJYQRCLAJQWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14-4-6-15(7-5-14)24-21(28)17-12-16(30-3)8-9-18(17)25-22(29)23-26-19-10-11-27(2)13-20(19)31-23/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155566743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).