ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

C18H19N3O3S2 — CID 5082140

IUPACethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1C
InChIInChI=1S/C18H19N3O3S2/c1-5-24-17(23)14-10(2)13-16(25-14)20-18(26-13)19-15(22)11-6-8-12(9-7-11)21(3)4/h6-9H,5H2,1-4H3,(H,19,20,22)
InChIKeySOBHKDGFJWJEEJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.16
Rot. Bonds5

About ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 5082140) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID5082140
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Nameethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1C
InChIInChI=1S/C18H19N3O3S2/c1-5-24-17(23)14-10(2)13-16(25-14)20-18(26-13)19-15(22)11-6-8-12(9-7-11)21(3)4/h6-9H,5H2,1-4H3,(H,19,20,22)
InChIKeySOBHKDGFJWJEEJ-UHFFFAOYSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4591238
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 18573740
ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4598099
ethyl 5-[[4-(dimethylamino)benzoyl]amino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 7521317
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41145874
ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41139458
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (CID 5082140) is ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1C.
What is the InChIKey of ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is SOBHKDGFJWJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-5-24-17(23)14-10(2)13-16(25-14)20-18(26-13)19-15(22)11-6-8-12(9-7-11)21(3)4/h6-9H,5H2,1-4H3,(H,19,20,22).
What are the key properties of ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 5082140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).