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

C17H15N3OS — CID 84564808

IUPACN-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H15N3OS/c1-12(21)18-14-8-5-9-15(10-14)19-17-20-16(11-22-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyWTJZEVROBURUPJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.51
Rot. Bonds4

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

N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 84564808) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
PubChem CID84564808
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H15N3OS/c1-12(21)18-14-8-5-9-15(10-14)19-17-20-16(11-22-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyWTJZEVROBURUPJ-UHFFFAOYSA-N
XLogP4.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide (CID 84564808) is N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is WTJZEVROBURUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12(21)18-14-8-5-9-15(10-14)19-17-20-16(11-22-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide?
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 84564808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).