4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole

C12H11N3S — CID 166386367

IUPAC4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
SMILESCc1csc(-c2ccc3cnn(C)c3c2)n1
InChIInChI=1S/C12H11N3S/c1-8-7-16-12(14-8)9-3-4-10-6-13-15(2)11(10)5-9/h3-7H,1-2H3
InChIKeyFTMKVIBWPHOCJD-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.01
Rot. Bonds1

About 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole

4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole (PubChem CID 166386367) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
PubChem CID166386367
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
SMILESCc1csc(-c2ccc3cnn(C)c3c2)n1
InChIInChI=1S/C12H11N3S/c1-8-7-16-12(14-8)9-3-4-10-6-13-15(2)11(10)5-9/h3-7H,1-2H3
InChIKeyFTMKVIBWPHOCJD-UHFFFAOYSA-N
XLogP3.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole (CID 166386367) is 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole is Cc1csc(-c2ccc3cnn(C)c3c2)n1.
What is the InChIKey of 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole?
The InChIKey is FTMKVIBWPHOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-7-16-12(14-8)9-3-4-10-6-13-15(2)11(10)5-9/h3-7H,1-2H3.
What are the key properties of 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole?
4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole has a molecular weight of 229.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole is sourced from PubChem (CID 166386367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).