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

C22H19N5O2S — CID 72550409

IUPAC5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1N
InChIInChI=1S/C22H19N5O2S/c1-12-6-7-15(11-17(12)23)20(29)27-21-18(19(24)28)26-22(30-21)25-16-9-8-13-4-2-3-5-14(13)10-16/h2-11H,23H2,1H3,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyGOUTVBDBKUUZQG-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.28
Rot. Bonds5

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

5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 72550409) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID72550409
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1N
InChIInChI=1S/C22H19N5O2S/c1-12-6-7-15(11-17(12)23)20(29)27-21-18(19(24)28)26-22(30-21)25-16-9-8-13-4-2-3-5-14(13)10-16/h2-11H,23H2,1H3,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyGOUTVBDBKUUZQG-UHFFFAOYSA-N
XLogP4.28
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.28
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-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 72550409) is 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1N.
What is the InChIKey of 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is GOUTVBDBKUUZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-12-6-7-15(11-17(12)23)20(29)27-21-18(19(24)28)26-22(30-21)25-16-9-8-13-4-2-3-5-14(13)10-16/h2-11H,23H2,1H3,(H2,24,28)(H,25,26)(H,27,29).
What are the key properties of 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72550409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).