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

C23H25N3O3S — CID 53060365

IUPAC2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)ccc2OC)CC3)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-29-17-8-6-16(7-9-17)22-24-18-11-12-26(14-21(18)30-22)23(27)25-19-13-15(2)5-10-20(19)28-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,27)
InChIKeyDNWLIVFBTLVWTM-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.12
Rot. Bonds5

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

2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 53060365) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID53060365
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)ccc2OC)CC3)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-29-17-8-6-16(7-9-17)22-24-18-11-12-26(14-21(18)30-22)23(27)25-19-13-15(2)5-10-20(19)28-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,27)
InChIKeyDNWLIVFBTLVWTM-UHFFFAOYSA-N
XLogP5.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060376
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033159
N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060396
ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528151
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
N-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033115
N-(5-chloro-2-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 46297458
N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 53060365) is 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)ccc2OC)CC3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is DNWLIVFBTLVWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-29-17-8-6-16(7-9-17)22-24-18-11-12-26(14-21(18)30-22)23(27)25-19-13-15(2)5-10-20(19)28-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 53060365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).