2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C20H14N4O2S — CID 8839559

IUPAC2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C20H14N4O2S/c21-9-13-5-7-14(8-6-13)26-11-19(25)24-20-23-18(12-27-20)16-10-22-17-4-2-1-3-15(16)17/h1-8,10,12,22H,11H2,(H,23,24,25)
InChIKeyMLTRRBQDSIYGBA-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8839559) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID8839559
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C20H14N4O2S/c21-9-13-5-7-14(8-6-13)26-11-19(25)24-20-23-18(12-27-20)16-10-22-17-4-2-1-3-15(16)17/h1-8,10,12,22H,11H2,(H,23,24,25)
InChIKeyMLTRRBQDSIYGBA-UHFFFAOYSA-N
XLogP4.18
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 41188721
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 31950079
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4799321
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 8780817
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
CID 125431169

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 8839559) is 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is N#Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MLTRRBQDSIYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c21-9-13-5-7-14(8-6-13)26-11-19(25)24-20-23-18(12-27-20)16-10-22-17-4-2-1-3-15(16)17/h1-8,10,12,22H,11H2,(H,23,24,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 374.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8839559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).