5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole

C17H16N2S — CID 139563228

IUPAC5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
SMILESC=C(CCC(=C)c1cccs1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H16N2S/c1-12(5-6-13(2)17-4-3-9-20-17)14-7-8-16-15(10-14)11-18-19-16/h3-4,7-11H,1-2,5-6H2,(H,18,19)
InChIKeyIOAJTGBSBXDQMA-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.13
Rot. Bonds5

About 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole

5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole (PubChem CID 139563228) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
PubChem CID139563228
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
SMILESC=C(CCC(=C)c1cccs1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H16N2S/c1-12(5-6-13(2)17-4-3-9-20-17)14-7-8-16-15(10-14)11-18-19-16/h3-4,7-11H,1-2,5-6H2,(H,18,19)
InChIKeyIOAJTGBSBXDQMA-UHFFFAOYSA-N
XLogP5.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563365
5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole
CID 139563240
5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole
CID 139563370
7-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-3,4-dihydro-2H-thiochromene
CID 139563188
[2-[(E)-1-(1H-indazol-5-yl)-2-thiophen-2-ylbut-1-enyl]phenyl] prop-2-enoate
CID 174686819
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
N'-amino-1H-indazole-5-carboximidamide
CID 69029061
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002
N-methyl-1H-indazole-5-carboxamide
CID 22934041
(NE,S)-N-[1-(1H-indazol-5-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87212835
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]-3-(trifluoromethyl)pyridine
CID 139563388
2-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 175960010

Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole?
The IUPAC name of 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole (CID 139563228) is 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole.
What is the SMILES notation for 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole?
The canonical SMILES for 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole is C=C(CCC(=C)c1cccs1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole?
The InChIKey is IOAJTGBSBXDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12(5-6-13(2)17-4-3-9-20-17)14-7-8-16-15(10-14)11-18-19-16/h3-4,7-11H,1-2,5-6H2,(H,18,19).
What are the key properties of 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole?
5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole has a molecular weight of 280.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole is sourced from PubChem (CID 139563228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).