4-(1H-indol-3-yl)-2-methyl-1,3-thiazole

C12H10N2S — CID 884033

IUPAC4-(1H-indol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C12H10N2S/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeySMGJGZLOCHBOHX-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole

4-(1H-indol-3-yl)-2-methyl-1,3-thiazole (PubChem CID 884033) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-methyl-1,3-thiazole
PubChem CID884033
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name4-(1H-indol-3-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C12H10N2S/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeySMGJGZLOCHBOHX-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 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole (CID 884033) is 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole?
The InChIKey is SMGJGZLOCHBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole?
4-(1H-indol-3-yl)-2-methyl-1,3-thiazole 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 4-(1H-indol-3-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 884033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).