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

C13H17N3O3S2 — CID 51087747

IUPACmethyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C13H17N3O3S2/c1-13(2,11(18)19-5)15-9(17)7-6-8-10(20-7)14-12(21-8)16(3)4/h6H,1-5H3,(H,15,17)
InChIKeyRSCOACROLRURDJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.11
Rot. Bonds4

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

methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate (PubChem CID 51087747) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate
PubChem CID51087747
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C13H17N3O3S2/c1-13(2,11(18)19-5)15-9(17)7-6-8-10(20-7)14-12(21-8)16(3)4/h6H,1-5H3,(H,15,17)
InChIKeyRSCOACROLRURDJ-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate (CID 51087747) is methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cc2sc(N(C)C)nc2s1.
What is the InChIKey of methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate?
The InChIKey is RSCOACROLRURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-13(2,11(18)19-5)15-9(17)7-6-8-10(20-7)14-12(21-8)16(3)4/h6H,1-5H3,(H,15,17).
What are the key properties of methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate has a molecular weight of 327.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 51087747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).