N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C22H22ClN3O3S — CID 27895508

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1
InChIInChI=1S/C22H22ClN3O3S/c1-15-2-5-17(6-3-15)29-13-21-24-19(14-30-21)22(27)25-18-12-16(23)4-7-20(18)26-8-10-28-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,25,27)
InChIKeyMLSMDJMKLNZEJF-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.77
Rot. Bonds6

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 27895508) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID27895508
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1
InChIInChI=1S/C22H22ClN3O3S/c1-15-2-5-17(6-3-15)29-13-21-24-19(14-30-21)22(27)25-18-12-16(23)4-7-20(18)26-8-10-28-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,25,27)
InChIKeyMLSMDJMKLNZEJF-UHFFFAOYSA-N
XLogP4.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27286537
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030385
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
N-[(1S,2S)-2-[(2,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014463
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
CID 9265972
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
CID 11875082

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 27895508) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MLSMDJMKLNZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-15-2-5-17(6-3-15)29-13-21-24-19(14-30-21)22(27)25-18-12-16(23)4-7-20(18)26-8-10-28-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,25,27).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 443.96 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27895508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).