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

C17H18N4O3S2 — CID 52689269

IUPAC2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2s1
InChIInChI=1S/C17H18N4O3S2/c1-4-20(5-2)17-19-16-14(26-17)9-13(25-16)15(22)18-11-7-6-8-12(10(11)3)21(23)24/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyXZMXMTQMHGGRBY-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.67
Rot. Bonds6

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

2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 52689269) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID52689269
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2s1
InChIInChI=1S/C17H18N4O3S2/c1-4-20(5-2)17-19-16-14(26-17)9-13(25-16)15(22)18-11-7-6-8-12(10(11)3)21(23)24/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyXZMXMTQMHGGRBY-UHFFFAOYSA-N
XLogP4.67
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
CID 9270687
2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
3-methyl-N-(2-methyl-3-nitrophenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9395800
4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256992
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
2-[ethyl-[(2-methyl-3-nitrophenyl)carbamoyl]amino]acetic acid
CID 107810958
N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
CID 17420585
N-[1-(aminomethyl)cyclopentyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119567442

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 52689269) is 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is XZMXMTQMHGGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-4-20(5-2)17-19-16-14(26-17)9-13(25-16)15(22)18-11-7-6-8-12(10(11)3)21(23)24/h6-9H,4-5H2,1-3H3,(H,18,22).
What are the key properties of 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 52689269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).