N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

C17H21N3O3S — CID 117094105

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-2-13(3-5-14)6-7-18-16(21)15-12-24-17(19-15)20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)
InChIKeySKIMEBZRJRZRAP-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 117094105) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID117094105
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-2-13(3-5-14)6-7-18-16(21)15-12-24-17(19-15)20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)
InChIKeySKIMEBZRJRZRAP-UHFFFAOYSA-N
XLogP1.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-4-carboxamide
CID 117084002
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 171138573
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 31717997
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 117094105) is N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SKIMEBZRJRZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-14-4-2-13(3-5-14)6-7-18-16(21)15-12-24-17(19-15)20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117094105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).