2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C15H19N5OS2 — CID 47069990

IUPAC2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCCn3ccnc3)cc2s1
InChIInChI=1S/C15H19N5OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)17-6-8-19-7-5-16-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,21)
InChIKeyZVSBBMKELJLOHZ-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.83
Rot. Bonds7

About 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 47069990) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID47069990
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)NCCn3ccnc3)cc2s1
InChIInChI=1S/C15H19N5OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)17-6-8-19-7-5-16-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,21)
InChIKeyZVSBBMKELJLOHZ-UHFFFAOYSA-N
XLogP2.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663589
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
2-(diethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120947297
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
N-(1-amino-2-methylpropan-2-yl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 119524051
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
2-(diethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865012
2-(diethylamino)-N-(piperidin-3-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119463249
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 47069990) is 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)NCCn3ccnc3)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZVSBBMKELJLOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-3-20(4-2)15-18-14-12(23-15)9-11(22-14)13(21)17-6-8-19-7-5-16-10-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,21).
What are the key properties of 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 349.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 47069990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).