2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate

C17H18N3O4S- — CID 7361431

IUPAC2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)[O-])cs1)C(=O)c1ccccc1
InChIInChI=1S/C17H19N3O4S/c1-11(2)20(16(24)12-6-4-3-5-7-12)9-14(21)19-17-18-13(10-25-17)8-15(22)23/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,18,19,21)/p-1
InChIKeyMUUXLFVESCYCNL-UHFFFAOYSA-M
MW360.42 g/mol
LogP0.92
Rot. Bonds7

About 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate

2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 7361431) has the molecular formula C17H18N3O4S- and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID7361431
Molecular FormulaC17H18N3O4S-
Molecular Weight360.42 g/mol
Exact Mass360.10
IUPAC Name2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)[O-])cs1)C(=O)c1ccccc1
InChIInChI=1S/C17H19N3O4S/c1-11(2)20(16(24)12-6-4-3-5-7-12)9-14(21)19-17-18-13(10-25-17)8-15(22)23/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,18,19,21)/p-1
InChIKeyMUUXLFVESCYCNL-UHFFFAOYSA-M
XLogP0.92
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2-[2-[[2-[(2-chlorobenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7231958
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4534900
4-fluoro-N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42779016
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4140064
N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029921
N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3437555
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 5240773
N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029922
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029885
4-fluoro-N-[2-oxo-2-[[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1029792
4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 7361431) is 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate is CC(C)N(CC(=O)Nc1nc(CC(=O)[O-])cs1)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MUUXLFVESCYCNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19N3O4S/c1-11(2)20(16(24)12-6-4-3-5-7-12)9-14(21)19-17-18-13(10-25-17)8-15(22)23/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,18,19,21)/p-1.
What are the key properties of 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7361431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).