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

C23H24N4O4S — CID 155513763

IUPACN-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(OC)ccc2NC(=O)c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C23H24N4O4S/c1-27-10-9-19-20(13-27)32-23(26-19)22(29)25-18-8-7-16(31-3)12-17(18)21(28)24-14-5-4-6-15(11-14)30-2/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyAJTUZVNVUVPTEE-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.65
Rot. Bonds6

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

N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155513763) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155513763
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(OC)ccc2NC(=O)c2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C23H24N4O4S/c1-27-10-9-19-20(13-27)32-23(26-19)22(29)25-18-8-7-16(31-3)12-17(18)21(28)24-14-5-4-6-15(11-14)30-2/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyAJTUZVNVUVPTEE-UHFFFAOYSA-N
XLogP3.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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-[2-[(4-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533938
N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155546116
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
2,4-Dimethyl-thiazole-5-carboxylic acid (3-methoxy-phenyl)-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3215357
N-[2-[(5-chlorothiophen-2-yl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155543248
2,4-Dimethyl-thiazole-5-carboxylic acid [cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-phenyl-amide
CID 3215401

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[(3-methoxyphenyl)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-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155513763) is N-[4-methoxy-2-[(3-methoxyphenyl)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-[(3-methoxyphenyl)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-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc(OC)ccc2NC(=O)c2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is AJTUZVNVUVPTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-27-10-9-19-20(13-27)32-23(26-19)22(29)25-18-8-7-16(31-3)12-17(18)21(28)24-14-5-4-6-15(11-14)30-2/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155513763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).