N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

C20H17N3O2S — CID 9343920

IUPACN-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1
InChIInChI=1S/C20H17N3O2S/c1-12-3-2-4-15(7-12)21-19(25)10-20-23-17(11-26-20)13-5-6-16-14(8-13)9-18(24)22-16/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyOZXHQKBUPPOTOQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.79
Rot. Bonds4

About N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9343920) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID9343920
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1
InChIInChI=1S/C20H17N3O2S/c1-12-3-2-4-15(7-12)21-19(25)10-20-23-17(11-26-20)13-5-6-16-14(8-13)9-18(24)22-16/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyOZXHQKBUPPOTOQ-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173848
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964545
2-chloro-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110351139
2-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964637
2-methyl-N-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110351164
2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60529050
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 9343920) is N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OZXHQKBUPPOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-3-2-4-15(7-12)21-19(25)10-20-23-17(11-26-20)13-5-6-16-14(8-13)9-18(24)22-16/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9343920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).