5-(5-methylthiophen-2-yl)-1H-indazole

C12H10N2S — CID 53408077

IUPAC5-(5-methylthiophen-2-yl)-1H-indazole
SMILESCc1ccc(-c2ccc3[nH]ncc3c2)s1
InChIInChI=1S/C12H10N2S/c1-8-2-5-12(15-8)9-3-4-11-10(6-9)7-13-14-11/h2-7H,1H3,(H,13,14)
InChIKeyCBKCXAJFGJLDKP-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 5-(5-methylthiophen-2-yl)-1H-indazole

5-(5-methylthiophen-2-yl)-1H-indazole (PubChem CID 53408077) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-1H-indazole
PubChem CID53408077
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name5-(5-methylthiophen-2-yl)-1H-indazole
SMILESCc1ccc(-c2ccc3[nH]ncc3c2)s1
InChIInChI=1S/C12H10N2S/c1-8-2-5-12(15-8)9-3-4-11-10(6-9)7-13-14-11/h2-7H,1H3,(H,13,14)
InChIKeyCBKCXAJFGJLDKP-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-1H-indazole?
The IUPAC name of 5-(5-methylthiophen-2-yl)-1H-indazole (CID 53408077) is 5-(5-methylthiophen-2-yl)-1H-indazole.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-1H-indazole?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-1H-indazole is Cc1ccc(-c2ccc3[nH]ncc3c2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-1H-indazole?
The InChIKey is CBKCXAJFGJLDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-2-5-12(15-8)9-3-4-11-10(6-9)7-13-14-11/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(5-methylthiophen-2-yl)-1H-indazole?
5-(5-methylthiophen-2-yl)-1H-indazole has a molecular weight of 214.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-1H-indazole is sourced from PubChem (CID 53408077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).