[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

C17H17N3O3S2 — CID 42925867

IUPAC[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCNC(=O)C(C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C17H17N3O3S2/c1-3-18-14(21)10(2)23-16(22)13-9-12-15(24-13)20-17(25-12)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLAPQJKJNUUWZKZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.78
Rot. Bonds6

About [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate

[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 42925867) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID42925867
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCNC(=O)C(C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C17H17N3O3S2/c1-3-18-14(21)10(2)23-16(22)13-9-12-15(24-13)20-17(25-12)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLAPQJKJNUUWZKZ-UHFFFAOYSA-N
XLogP3.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 55472090
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
(3-methyl-1,2-oxazol-5-yl)methyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 34295797
(1-anilino-1-oxopropan-2-yl) 5-methyl-4-propylthiophene-2-carboxylate
CID 16516818
2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 17489929
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2,4-diphenyl-1,3-thiazole-5-carboxylate
CID 8625760
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate
CID 55424773
[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 120656623
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 9413093
2-anilino-N-ethyl-5-methoxy-1,3-thiazole-4-carboxamide
CID 118011175
3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 71883303

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate (CID 42925867) is [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is CCNC(=O)C(C)OC(=O)c1cc2sc(Nc3ccccc3)nc2s1.
What is the InChIKey of [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is LAPQJKJNUUWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-3-18-14(21)10(2)23-16(22)13-9-12-15(24-13)20-17(25-12)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate?
[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 375.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 42925867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).