2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C18H20N4O2S2 — CID 60525036

IUPAC2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3ccc(C(=O)NC)cc3)cc2s1
InChIInChI=1S/C18H20N4O2S2/c1-4-22(5-2)18-21-17-14(26-18)10-13(25-17)16(24)20-12-8-6-11(7-9-12)15(23)19-3/h6-10H,4-5H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyQAXMOISQWVXHLG-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.82
Rot. Bonds6

About 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 60525036) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID60525036
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3ccc(C(=O)NC)cc3)cc2s1
InChIInChI=1S/C18H20N4O2S2/c1-4-22(5-2)18-21-17-14(26-18)10-13(25-17)16(24)20-12-8-6-11(7-9-12)15(23)19-3/h6-10H,4-5H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyQAXMOISQWVXHLG-UHFFFAOYSA-N
XLogP3.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
N-(4-acetylphenyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60522510
N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 120568686
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-(2-ethoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865260
N-(2-amino-2-phenylethyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119528992
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741
2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47069990
2-(diethylamino)-N-[(2-methoxyphenyl)methyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864501
4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
CID 42883227

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 60525036) is 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3ccc(C(=O)NC)cc3)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is QAXMOISQWVXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-4-22(5-2)18-21-17-14(26-18)10-13(25-17)16(24)20-12-8-6-11(7-9-12)15(23)19-3/h6-10H,4-5H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 60525036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).