N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide

C21H17N3OS — CID 46942413

IUPACN-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1
InChIInChI=1S/C21H17N3OS/c1-14(25)23-20(15-7-3-2-4-8-15)21-24-19(13-26-21)17-11-16-9-5-6-10-18(16)22-12-17/h2-13,20H,1H3,(H,23,25)
InChIKeyJTYZVTFYSGVUIF-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.58
Rot. Bonds4

About N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide

N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 46942413) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID46942413
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1
InChIInChI=1S/C21H17N3OS/c1-14(25)23-20(15-7-3-2-4-8-15)21-24-19(13-26-21)17-11-16-9-5-6-10-18(16)22-12-17/h2-13,20H,1H3,(H,23,25)
InChIKeyJTYZVTFYSGVUIF-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 46942413) is N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1.
What is the InChIKey of N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is JTYZVTFYSGVUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14(25)23-20(15-7-3-2-4-8-15)21-24-19(13-26-21)17-11-16-9-5-6-10-18(16)22-12-17/h2-13,20H,1H3,(H,23,25).
What are the key properties of N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide?
N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 46942413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).