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

C18H21N5OS — CID 2430892

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C18H21N5OS/c1-22-6-8-23(9-7-22)11-17(24)21-18-20-16(12-25-18)14-10-19-15-5-3-2-4-13(14)15/h2-5,10,12,19H,6-9,11H2,1H3,(H,20,21,24)
InChIKeyJRAHNQXWGLZOJC-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.48
Rot. Bonds4

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

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2430892) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID2430892
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C18H21N5OS/c1-22-6-8-23(9-7-22)11-17(24)21-18-20-16(12-25-18)14-10-19-15-5-3-2-4-13(14)15/h2-5,10,12,19H,6-9,11H2,1H3,(H,20,21,24)
InChIKeyJRAHNQXWGLZOJC-UHFFFAOYSA-N
XLogP2.48
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 2430892) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is JRAHNQXWGLZOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22-6-8-23(9-7-22)11-17(24)21-18-20-16(12-25-18)14-10-19-15-5-3-2-4-13(14)15/h2-5,10,12,19H,6-9,11H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2430892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).