methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate

C13H17N3O3S2 — CID 47060249

IUPACmethyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate
SMILESCCN(CC)c1nc2sc(C(=O)NCC(=O)OC)cc2s1
InChIInChI=1S/C13H17N3O3S2/c1-4-16(5-2)13-15-12-9(21-13)6-8(20-12)11(18)14-7-10(17)19-3/h6H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyIXPDWENPOTVVTQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.11
Rot. Bonds6

About methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate

methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate (PubChem CID 47060249) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate
PubChem CID47060249
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate
SMILESCCN(CC)c1nc2sc(C(=O)NCC(=O)OC)cc2s1
InChIInChI=1S/C13H17N3O3S2/c1-4-16(5-2)13-15-12-9(21-13)6-8(20-12)11(18)14-7-10(17)19-3/h6H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyIXPDWENPOTVVTQ-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate (CID 47060249) is methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate is CCN(CC)c1nc2sc(C(=O)NCC(=O)OC)cc2s1.
What is the InChIKey of methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate?
The InChIKey is IXPDWENPOTVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-4-16(5-2)13-15-12-9(21-13)6-8(20-12)11(18)14-7-10(17)19-3/h6H,4-5,7H2,1-3H3,(H,14,18).
What are the key properties of methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate?
methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate has a molecular weight of 327.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 47060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).