N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide

C18H17N3OS — CID 110694139

IUPACN-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c22-17(13-20-18-19-11-12-23-18)21(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20)
InChIKeyXXAMZCVCDBXGSY-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.79
Rot. Bonds6

About N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide

N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694139) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694139
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide
SMILESO=C(CNc1nccs1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c22-17(13-20-18-19-11-12-23-18)21(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20)
InChIKeyXXAMZCVCDBXGSY-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694139) is N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide is O=C(CNc1nccs1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is XXAMZCVCDBXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(13-20-18-19-11-12-23-18)21(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,19,20).
What are the key properties of N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide?
N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 323.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).