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

C19H19N3OS — CID 2215042

IUPACN-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-14(23)21-17-9-7-16(8-10-17)18-13-24-19(22-18)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyRDVIOVXCTHMRHD-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.42
Rot. Bonds6

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

N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2215042) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2215042
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-14(23)21-17-9-7-16(8-10-17)18-13-24-19(22-18)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyRDVIOVXCTHMRHD-UHFFFAOYSA-N
XLogP4.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 2215042) is N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NCCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is RDVIOVXCTHMRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(23)21-17-9-7-16(8-10-17)18-13-24-19(22-18)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2215042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).