N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C21H23N3O2S2 — CID 55659916

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C(CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)c1
InChIInChI=1S/C21H23N3O2S2/c1-15-4-2-5-16(12-15)18(24-7-9-26-10-8-24)13-22-20(25)17-14-28-21(23-17)19-6-3-11-27-19/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,22,25)
InChIKeyWUUUJFRXFIXEDJ-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55659916) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55659916
Molecular FormulaC21H23N3O2S2
Molecular Weight413.57 g/mol
Exact Mass413.12
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C(CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)c1
InChIInChI=1S/C21H23N3O2S2/c1-15-4-2-5-16(12-15)18(24-7-9-26-10-8-24)13-22-20(25)17-14-28-21(23-17)19-6-3-11-27-19/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,22,25)
InChIKeyWUUUJFRXFIXEDJ-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24646988
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 39223987
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55659912
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168
2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120644919
2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31444098
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55659916) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1cccc(C(CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WUUUJFRXFIXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-15-4-2-5-16(12-15)18(24-7-9-26-10-8-24)13-22-20(25)17-14-28-21(23-17)19-6-3-11-27-19/h2-6,11-12,14,18H,7-10,13H2,1H3,(H,22,25).
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55659916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).