(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

C17H17N5OS — CID 89322837

IUPAC(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESC=C1CN(C)CCN1C(=O)c1n[nH]c2cc(-c3nccs3)ccc12
InChIInChI=1S/C17H17N5OS/c1-11-10-21(2)6-7-22(11)17(23)15-13-4-3-12(9-14(13)19-20-15)16-18-5-8-24-16/h3-5,8-9H,1,6-7,10H2,2H3,(H,19,20)
InChIKeyJDZRFCJJQXUEGQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.59
Rot. Bonds2

About (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (PubChem CID 89322837) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
PubChem CID89322837
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESC=C1CN(C)CCN1C(=O)c1n[nH]c2cc(-c3nccs3)ccc12
InChIInChI=1S/C17H17N5OS/c1-11-10-21(2)6-7-22(11)17(23)15-13-4-3-12(9-14(13)19-20-15)16-18-5-8-24-16/h3-5,8-9H,1,6-7,10H2,2H3,(H,19,20)
InChIKeyJDZRFCJJQXUEGQ-UHFFFAOYSA-N
XLogP2.59
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The IUPAC name of (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (CID 89322837) is (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.
What is the SMILES notation for (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The canonical SMILES for (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is C=C1CN(C)CCN1C(=O)c1n[nH]c2cc(-c3nccs3)ccc12.
What is the InChIKey of (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The InChIKey is JDZRFCJJQXUEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-10-21(2)6-7-22(11)17(23)15-13-4-3-12(9-14(13)19-20-15)16-18-5-8-24-16/h3-5,8-9H,1,6-7,10H2,2H3,(H,19,20).
What are the key properties of (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
(4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone has a molecular weight of 339.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylidenepiperazin-1-yl)-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is sourced from PubChem (CID 89322837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).