N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C20H18N4O2S — CID 84565421

IUPACN-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1
InChIInChI=1S/C20H18N4O2S/c1-12(25)21-15-4-3-5-16(10-15)22-20-23-17(11-27-20)13-6-7-18-14(8-13)9-19(26)24(18)2/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQVEKOJCOMAMVDN-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.03
Rot. Bonds4

About N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84565421) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84565421
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1
InChIInChI=1S/C20H18N4O2S/c1-12(25)21-15-4-3-5-16(10-15)22-20-23-17(11-27-20)13-6-7-18-14(8-13)9-19(26)24(18)2/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQVEKOJCOMAMVDN-UHFFFAOYSA-N
XLogP4.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(1-methyl-2-oxo-3H-indol-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-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
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-(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
6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 166340362
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
CID 2877331

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84565421) is N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1.
What is the InChIKey of N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is QVEKOJCOMAMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12(25)21-15-4-3-5-16(10-15)22-20-23-17(11-27-20)13-6-7-18-14(8-13)9-19(26)24(18)2/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 378.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84565421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).