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

C24H20N4OS — CID 38749299

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C24H20N4OS/c29-23(15-18-16-30-24(26-18)20-9-5-6-13-25-20)27-19-8-2-4-11-22(19)28-14-12-17-7-1-3-10-21(17)28/h1-11,13,16H,12,14-15H2,(H,27,29)
InChIKeyGTUINYUCTZAKRI-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.08
Rot. Bonds5

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

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38749299) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID38749299
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C24H20N4OS/c29-23(15-18-16-30-24(26-18)20-9-5-6-13-25-20)27-19-8-2-4-11-22(19)28-14-12-17-7-1-3-10-21(17)28/h1-11,13,16H,12,14-15H2,(H,27,29)
InChIKeyGTUINYUCTZAKRI-UHFFFAOYSA-N
XLogP5.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43066815
N-(2-imidazol-1-ylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47025486
N-(2-benzylsulfanylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563548
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55388333
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide
CID 112820431
N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 47093060
(2R)-N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
CID 52506946
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 16605145

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 38749299) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GTUINYUCTZAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c29-23(15-18-16-30-24(26-18)20-9-5-6-13-25-20)27-19-8-2-4-11-22(19)28-14-12-17-7-1-3-10-21(17)28/h1-11,13,16H,12,14-15H2,(H,27,29).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38749299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).