5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole

C13H13N3S — CID 127038342

IUPAC5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole
SMILESCCCc1cccc2c(-c3cncs3)[nH]nc12
InChIInChI=1S/C13H13N3S/c1-2-4-9-5-3-6-10-12(9)15-16-13(10)11-7-14-8-17-11/h3,5-8H,2,4H2,1H3,(H,15,16)
InChIKeyPNQSPGGATYGTJO-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.64
Rot. Bonds3

About 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole

5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole (PubChem CID 127038342) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole
PubChem CID127038342
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole
SMILESCCCc1cccc2c(-c3cncs3)[nH]nc12
InChIInChI=1S/C13H13N3S/c1-2-4-9-5-3-6-10-12(9)15-16-13(10)11-7-14-8-17-11/h3,5-8H,2,4H2,1H3,(H,15,16)
InChIKeyPNQSPGGATYGTJO-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole 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

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
2-(3-Methyl-1H-pyrazol-4-yl)benzo[d]thiazole
CID 45076993
WO2022112919, Example 12
CID 163381192
WO2022112919, Example 15
CID 163381199
WO2022112919, Example 18
CID 163381210
WO2022112919, Example 17
CID 163381219
5-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504778
2-[(3-Phenylindazol-1-yl)methyl]-1,3-thiazole
CID 73504779
2-(1H-indazol-5-yl)-1,3-benzothiazole
CID 10634504
TTR stabilizer 1
CID 163381202
WO2022112919, Example 13
CID 163381214

Frequently Asked Questions

What is the IUPAC name of 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole?
The IUPAC name of 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole (CID 127038342) is 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole is CCCc1cccc2c(-c3cncs3)[nH]nc12.
What is the InChIKey of 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole?
The InChIKey is PNQSPGGATYGTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-4-9-5-3-6-10-12(9)15-16-13(10)11-7-14-8-17-11/h3,5-8H,2,4H2,1H3,(H,15,16).
What are the key properties of 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole?
5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole has a molecular weight of 243.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 127038342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).