4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide

C19H18N4O4S — CID 87520516

IUPAC4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(Nc2ncc(NC(=O)c3ccc(NC(=O)CO)cc3)s2)cc1
InChIInChI=1S/C19H18N4O4S/c1-27-15-8-6-14(7-9-15)22-19-20-10-17(28-19)23-18(26)12-2-4-13(5-3-12)21-16(25)11-24/h2-10,24H,11H2,1H3,(H,20,22)(H,21,25)(H,23,26)
InChIKeyJPELQIGHSFNUSI-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.08
Rot. Bonds7

About 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide

4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide (PubChem CID 87520516) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
PubChem CID87520516
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
SMILESCOc1ccc(Nc2ncc(NC(=O)c3ccc(NC(=O)CO)cc3)s2)cc1
InChIInChI=1S/C19H18N4O4S/c1-27-15-8-6-14(7-9-15)22-19-20-10-17(28-19)23-18(26)12-2-4-13(5-3-12)21-16(25)11-24/h2-10,24H,11H2,1H3,(H,20,22)(H,21,25)(H,23,26)
InChIKeyJPELQIGHSFNUSI-UHFFFAOYSA-N
XLogP3.08
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide (CID 87520516) is 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide is COc1ccc(Nc2ncc(NC(=O)c3ccc(NC(=O)CO)cc3)s2)cc1.
What is the InChIKey of 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
The InChIKey is JPELQIGHSFNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-27-15-8-6-14(7-9-15)22-19-20-10-17(28-19)23-18(26)12-2-4-13(5-3-12)21-16(25)11-24/h2-10,24H,11H2,1H3,(H,20,22)(H,21,25)(H,23,26).
What are the key properties of 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide?
4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 87520516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).