2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H33N3O2S — CID 46439822

IUPAC2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1sc(Cc2ccccc2)nc1C)N1CCOCC1
InChIInChI=1S/C23H33N3O2S/c1-4-19(5-2)20(26-11-13-28-14-12-26)16-24-23(27)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-10,19-20H,4-5,11-16H2,1-3H3,(H,24,27)
InChIKeyVPYITAAYYIFGFZ-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.91
Rot. Bonds9

About 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46439822) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46439822
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1sc(Cc2ccccc2)nc1C)N1CCOCC1
InChIInChI=1S/C23H33N3O2S/c1-4-19(5-2)20(26-11-13-28-14-12-26)16-24-23(27)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-10,19-20H,4-5,11-16H2,1-3H3,(H,24,27)
InChIKeyVPYITAAYYIFGFZ-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide
CID 55608193
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 46439822) is 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide is CCC(CC)C(CNC(=O)c1sc(Cc2ccccc2)nc1C)N1CCOCC1.
What is the InChIKey of 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VPYITAAYYIFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-4-19(5-2)20(26-11-13-28-14-12-26)16-24-23(27)22-17(3)25-21(29-22)15-18-9-7-6-8-10-18/h6-10,19-20H,4-5,11-16H2,1-3H3,(H,24,27).
What are the key properties of 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46439822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).