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

C13H12N2S — CID 11673059

IUPAC4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyHGYKXFGBOKPDMW-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.52
Rot. Bonds2

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

4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole (PubChem CID 11673059) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
PubChem CID11673059
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3
InChIKeyHGYKXFGBOKPDMW-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.52
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-ylmethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole (CID 11673059) is 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole is Cc1nc(Cc2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole?
The InChIKey is HGYKXFGBOKPDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole?
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole has a molecular weight of 228.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 11673059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).