N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide

C23H25N3O4S — CID 10455872

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-20(25-21)15-24-23(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,27)
InChIKeyFQGMQBHQTQHUAI-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.04
Rot. Bonds6

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 10455872) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID10455872
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-20(25-21)15-24-23(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,27)
InChIKeyFQGMQBHQTQHUAI-UHFFFAOYSA-N
XLogP4.04
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 10253234

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide (CID 10455872) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide is COc1ccc(-c2nc(CNC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is FQGMQBHQTQHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-20(25-21)15-24-23(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 10455872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).