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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Related Compounds

4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-ethoxy-N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3643793
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671

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).