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

C21H17N5O2S — CID 86703375

IUPAC5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C21H17N5O2S/c22-15-8-5-13(6-9-15)19(28)26-20-17(18(23)27)25-21(29-20)24-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,22H2,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyRUMYDPRRAHRPJA-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.97
Rot. Bonds5

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

5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 86703375) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID86703375
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C21H17N5O2S/c22-15-8-5-13(6-9-15)19(28)26-20-17(18(23)27)25-21(29-20)24-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,22H2,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyRUMYDPRRAHRPJA-UHFFFAOYSA-N
XLogP3.97
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 86703375) is 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is RUMYDPRRAHRPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c22-15-8-5-13(6-9-15)19(28)26-20-17(18(23)27)25-21(29-20)24-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,22H2,(H2,23,27)(H,24,25)(H,26,28).
What are the key properties of 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86703375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).