ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate

C13H21N3O3S — CID 80575699

IUPACethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCCNC(=O)C(C)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H21N3O3S/c1-4-6-14-12(18)9(3)15-13-16-10(8-20-13)7-11(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyWPZMMUAYJIRKLU-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.58
Rot. Bonds8

About ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575699) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575699
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCCNC(=O)C(C)Nc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H21N3O3S/c1-4-6-14-12(18)9(3)15-13-16-10(8-20-13)7-11(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyWPZMMUAYJIRKLU-UHFFFAOYSA-N
XLogP1.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80575991
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574794
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 83152529
2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 79399138
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate (CID 80575699) is ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate is CCCNC(=O)C(C)Nc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WPZMMUAYJIRKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-6-14-12(18)9(3)15-13-16-10(8-20-13)7-11(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 299.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).