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

C17H20N4OS2 — CID 120568686

IUPACN-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(N)ccc3C)cc2s1
InChIInChI=1S/C17H20N4OS2/c1-4-21(5-2)17-20-16-14(24-17)9-13(23-16)15(22)19-12-8-11(18)7-6-10(12)3/h6-9H,4-5,18H2,1-3H3,(H,19,22)
InChIKeyMDMZINHJPDXDMT-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.35
Rot. Bonds5

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

N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 120568686) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID120568686
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3cc(N)ccc3C)cc2s1
InChIInChI=1S/C17H20N4OS2/c1-4-21(5-2)17-20-16-14(24-17)9-13(23-16)15(22)19-12-8-11(18)7-6-10(12)3/h6-9H,4-5,18H2,1-3H3,(H,19,22)
InChIKeyMDMZINHJPDXDMT-UHFFFAOYSA-N
XLogP4.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55864741
2-(diethylamino)-N-(2-ethoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 55865260
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
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-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
N-(3-amino-2-methylpropyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119995828
N-(1-amino-2-methylpropan-2-yl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 119524051
N-(2-amino-2-phenylethyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119528992
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
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 120568686) is N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3cc(N)ccc3C)cc2s1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is MDMZINHJPDXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-4-21(5-2)17-20-16-14(24-17)9-13(23-16)15(22)19-12-8-11(18)7-6-10(12)3/h6-9H,4-5,18H2,1-3H3,(H,19,22).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 120568686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).