N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide

C23H23N5O2S — CID 86578028

IUPACN-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)N1CCN(COc2cncs2)CC1
InChIInChI=1S/C23H23N5O2S/c29-23(28-10-8-27(9-11-28)16-30-22-14-24-15-31-22)25-19-6-3-5-17(12-19)21-13-18-4-1-2-7-20(18)26-21/h1-7,12-15,26H,8-11,16H2,(H,25,29)
InChIKeyXZOXNKHVYUGJPJ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.48
Rot. Bonds5

About N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide

N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide (PubChem CID 86578028) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide
PubChem CID86578028
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)N1CCN(COc2cncs2)CC1
InChIInChI=1S/C23H23N5O2S/c29-23(28-10-8-27(9-11-28)16-30-22-14-24-15-31-22)25-19-6-3-5-17(12-19)21-13-18-4-1-2-7-20(18)26-21/h1-7,12-15,26H,8-11,16H2,(H,25,29)
InChIKeyXZOXNKHVYUGJPJ-UHFFFAOYSA-N
XLogP4.48
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide (CID 86578028) is N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide is O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)N1CCN(COc2cncs2)CC1.
What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide?
The InChIKey is XZOXNKHVYUGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c29-23(28-10-8-27(9-11-28)16-30-22-14-24-15-31-22)25-19-6-3-5-17(12-19)21-13-18-4-1-2-7-20(18)26-21/h1-7,12-15,26H,8-11,16H2,(H,25,29).
What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide?
N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)phenyl]-4-(1,3-thiazol-5-yloxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86578028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).