1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one

C13H16N4O2S2 — CID 56821194

IUPAC1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one
SMILESCN(C)c1nc2sc(C(=O)N3CCNC(=O)CC3)cc2s1
InChIInChI=1S/C13H16N4O2S2/c1-16(2)13-15-11-8(21-13)7-9(20-11)12(19)17-5-3-10(18)14-4-6-17/h7H,3-6H2,1-2H3,(H,14,18)
InChIKeyJOWQENZXLKQMLT-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.39
Rot. Bonds2

About 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one

1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one (PubChem CID 56821194) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one
PubChem CID56821194
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one
SMILESCN(C)c1nc2sc(C(=O)N3CCNC(=O)CC3)cc2s1
InChIInChI=1S/C13H16N4O2S2/c1-16(2)13-15-11-8(21-13)7-9(20-11)12(19)17-5-3-10(18)14-4-6-17/h7H,3-6H2,1-2H3,(H,14,18)
InChIKeyJOWQENZXLKQMLT-UHFFFAOYSA-N
XLogP1.39
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one (CID 56821194) is 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one is CN(C)c1nc2sc(C(=O)N3CCNC(=O)CC3)cc2s1.
What is the InChIKey of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one?
The InChIKey is JOWQENZXLKQMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-16(2)13-15-11-8(21-13)7-9(20-11)12(19)17-5-3-10(18)14-4-6-17/h7H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one?
1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one has a molecular weight of 324.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 56821194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).