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

C23H22N6O2S — CID 118062997

IUPAC5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNCCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H22N6O2S/c24-11-12-26-17-8-6-15(7-9-17)21(31)29-22-19(20(25)30)28-23(32-22)27-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,26H,11-12,24H2,(H2,25,30)(H,27,28)(H,29,31)
InChIKeyOGGMWJCMMKQTHT-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.76
Rot. Bonds8

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

5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118062997) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118062997
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNCCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H22N6O2S/c24-11-12-26-17-8-6-15(7-9-17)21(31)29-22-19(20(25)30)28-23(32-22)27-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,26H,11-12,24H2,(H2,25,30)(H,27,28)(H,29,31)
InChIKeyOGGMWJCMMKQTHT-UHFFFAOYSA-N
XLogP3.76
TPSA135.16 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
5-(4-Methylbenzamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46234348
5-(Cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46355372
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-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118062997) is 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NCCNc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is OGGMWJCMMKQTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c24-11-12-26-17-8-6-15(7-9-17)21(31)29-22-19(20(25)30)28-23(32-22)27-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13,26H,11-12,24H2,(H2,25,30)(H,27,28)(H,29,31).
What are the key properties of 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminoethylamino)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).