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

C24H18N4O3S — CID 31950079

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1cccc(Oc2ccccn2)c1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C24H18N4O3S/c29-22(14-30-16-6-5-7-17(12-16)31-23-10-3-4-11-25-23)28-24-27-21(15-32-24)19-13-26-20-9-2-1-8-18(19)20/h1-13,15,26H,14H2,(H,27,28,29)
InChIKeyRLCHNMXEPNMTLO-UHFFFAOYSA-N
MW442.50 g/mol
LogP5.50
Rot. Bonds7

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

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 31950079) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
PubChem CID31950079
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1cccc(Oc2ccccn2)c1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C24H18N4O3S/c29-22(14-30-16-6-5-7-17(12-16)31-23-10-3-4-11-25-23)28-24-27-21(15-32-24)19-13-26-20-9-2-1-8-18(19)20/h1-13,15,26H,14H2,(H,27,28,29)
InChIKeyRLCHNMXEPNMTLO-UHFFFAOYSA-N
XLogP5.50
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
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-(2-methoxyphenyl)acetamide
CID 8839526
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]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 57421983
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
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 N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide (CID 31950079) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide is O=C(COc1cccc(Oc2ccccn2)c1)Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is RLCHNMXEPNMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c29-22(14-30-16-6-5-7-17(12-16)31-23-10-3-4-11-25-23)28-24-27-21(15-32-24)19-13-26-20-9-2-1-8-18(19)20/h1-13,15,26H,14H2,(H,27,28,29).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 442.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 31950079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).