3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide

C17H20N4O2S2 — CID 67479356

IUPAC3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCSC2C(N)=O)cc1
InChIInChI=1S/C17H20N4O2S2/c1-10-4-6-11(7-5-10)13-12(19-17(25-13)20(2)3)15(23)21-8-9-24-16(21)14(18)22/h4-7,16H,8-9H2,1-3H3,(H2,18,22)
InChIKeyLCAJAOLMKWPDER-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide

3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 67479356) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
PubChem CID67479356
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
SMILESCc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCSC2C(N)=O)cc1
InChIInChI=1S/C17H20N4O2S2/c1-10-4-6-11(7-5-10)13-12(19-17(25-13)20(2)3)15(23)21-8-9-24-16(21)14(18)22/h4-7,16H,8-9H2,1-3H3,(H2,18,22)
InChIKeyLCAJAOLMKWPDER-UHFFFAOYSA-N
XLogP2.18
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67479307
3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide
CID 67262611
[(1S,3R,4R)-3-(aminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 67286400
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone
CID 68608549
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(dimethylamino)-5-phenyl-1,3-thiazol-4-yl]methanone
CID 68632676
N-[[3-[2-(dimethylamino)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 44609120
[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67262628
methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67262561
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-(dimethylamino)-5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 68634700
(1S,3R,4R)-2-[2-[ethyl(methyl)amino]-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 67285852
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330391

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide (CID 67479356) is 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is Cc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCSC2C(N)=O)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is LCAJAOLMKWPDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-10-4-6-11(7-5-10)13-12(19-17(25-13)20(2)3)15(23)21-8-9-24-16(21)14(18)22/h4-7,16H,8-9H2,1-3H3,(H2,18,22).
What are the key properties of 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide?
3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 67479356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).