4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide

C16H19N3O3S — CID 119121657

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C)cs1
InChIInChI=1S/C16H19N3O3S/c1-3-13(16-18-10(2)9-23-16)19-15(21)11-4-6-12(7-5-11)22-8-14(17)20/h4-7,9,13H,3,8H2,1-2H3,(H2,17,20)(H,19,21)
InChIKeyGSKJGEANQFZHMJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.20
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 119121657) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
PubChem CID119121657
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C)cs1
InChIInChI=1S/C16H19N3O3S/c1-3-13(16-18-10(2)9-23-16)19-15(21)11-4-6-12(7-5-11)22-8-14(17)20/h4-7,9,13H,3,8H2,1-2H3,(H2,17,20)(H,19,21)
InChIKeyGSKJGEANQFZHMJ-UHFFFAOYSA-N
XLogP2.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
CID 63091960
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 95772810
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide (CID 119121657) is 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is CCC(NC(=O)c1ccc(OCC(N)=O)cc1)c1nc(C)cs1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is GSKJGEANQFZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-13(16-18-10(2)9-23-16)19-15(21)11-4-6-12(7-5-11)22-8-14(17)20/h4-7,9,13H,3,8H2,1-2H3,(H2,17,20)(H,19,21).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 119121657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).