N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide

C19H17N3O2S — CID 5272562

IUPACN-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(-c2cscn2)cc1)NCc1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(20-10-14-4-2-1-3-5-14)11-21-19(24)16-8-6-15(7-9-16)17-12-25-13-22-17/h1-9,12-13H,10-11H2,(H,20,23)(H,21,24)
InChIKeyNPHFJLJOBYCQCZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide

N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 5272562) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
PubChem CID5272562
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(-c2cscn2)cc1)NCc1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(20-10-14-4-2-1-3-5-14)11-21-19(24)16-8-6-15(7-9-16)17-12-25-13-22-17/h1-9,12-13H,10-11H2,(H,20,23)(H,21,24)
InChIKeyNPHFJLJOBYCQCZ-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide (CID 5272562) is N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide is O=C(CNC(=O)c1ccc(-c2cscn2)cc1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is NPHFJLJOBYCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(20-10-14-4-2-1-3-5-14)11-21-19(24)16-8-6-15(7-9-16)17-12-25-13-22-17/h1-9,12-13H,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide?
N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5272562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).