N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C20H19N3OS — CID 84565384

IUPACN-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C20H19N3OS/c1-13(24)21-17-6-3-7-18(11-17)22-20-23-19(12-25-20)16-9-8-14-4-2-5-15(14)10-16/h3,6-12H,2,4-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyFBFJTYQYWONGDF-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.00
Rot. Bonds4

About N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84565384) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84565384
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1
InChIInChI=1S/C20H19N3OS/c1-13(24)21-17-6-3-7-18(11-17)22-20-23-19(12-25-20)16-9-8-14-4-2-5-15(14)10-16/h3,6-12H,2,4-5H2,1H3,(H,21,24)(H,22,23)
InChIKeyFBFJTYQYWONGDF-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84565384) is N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1.
What is the InChIKey of N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is FBFJTYQYWONGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13(24)21-17-6-3-7-18(11-17)22-20-23-19(12-25-20)16-9-8-14-4-2-5-15(14)10-16/h3,6-12H,2,4-5H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84565384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).