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

C23H19N5O3S — CID 72550190

IUPAC5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-13(29)25-17-9-7-15(8-10-17)21(31)28-22-19(20(24)30)27-23(32-22)26-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31)
InChIKeyMEYASCISSHWIMK-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.35
Rot. Bonds6

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

5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 72550190) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID72550190
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-13(29)25-17-9-7-15(8-10-17)21(31)28-22-19(20(24)30)27-23(32-22)26-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31)
InChIKeyMEYASCISSHWIMK-UHFFFAOYSA-N
XLogP4.35
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 72550190) is 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is MEYASCISSHWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-13(29)25-17-9-7-15(8-10-17)21(31)28-22-19(20(24)30)27-23(32-22)26-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,1H3,(H2,24,30)(H,25,29)(H,26,27)(H,28,31).
What are the key properties of 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetamidobenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72550190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).