5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C25H26N6O2S — CID 118061278

IUPAC5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C25H26N6O2S/c1-31(2)14-13-27-19-10-8-17(9-11-19)23(33)30-24-21(22(26)32)29-25(34-24)28-20-12-7-16-5-3-4-6-18(16)15-20/h3-12,15,27H,13-14H2,1-2H3,(H2,26,32)(H,28,29)(H,30,33)
InChIKeyTUOMHXBPDAVHPA-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.36
Rot. Bonds9

About 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118061278) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118061278
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C25H26N6O2S/c1-31(2)14-13-27-19-10-8-17(9-11-19)23(33)30-24-21(22(26)32)29-25(34-24)28-20-12-7-16-5-3-4-6-18(16)15-20/h3-12,15,27H,13-14H2,1-2H3,(H2,26,32)(H,28,29)(H,30,33)
InChIKeyTUOMHXBPDAVHPA-UHFFFAOYSA-N
XLogP4.36
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
5-(4-Methylbenzamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46234348
2-Anilino-5-{[4-(dimethylamino)benzoyl]amino}-1,3-thiazole-4-carboxamide
CID 16030183
N-[2-(dimethylamino)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 16466063
3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-4(3H)-quinazolinone
CID 11842432
5-[[4-[(4-Aminopiperidin-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 72193614
5-(4-Acetamidobenzamido)-2-(naphthalen-1-ylamino)thiazole-4-carboxamide
CID 72550189
5-(4-Acetamidobenzamido)-2-(naphthalen-2-ylamino)thiazole-4-carboxamide
CID 72550190
5-(3-Amino-4-methylbenzamido)-2-(naphthalen-2-ylamino)thiazole-4-carboxamide
CID 72550409
5-[4-(2-Hydroxyethylamino)benzamido]-2-(naphthalen-2-ylamino)thiazole-4-carboxamide
CID 72550410
5-(6-Morpholinohexanamido)-2-(naphthalen-2-ylamino)thiazole-4-carboxamide
CID 72550634

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118061278) is 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is TUOMHXBPDAVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-31(2)14-13-27-19-10-8-17(9-11-19)23(33)30-24-21(22(26)32)29-25(34-24)28-20-12-7-16-5-3-4-6-18(16)15-20/h3-12,15,27H,13-14H2,1-2H3,(H2,26,32)(H,28,29)(H,30,33).
What are the key properties of 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.36, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(dimethylamino)ethylamino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).