5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole

C14H11N3S — CID 3740438

IUPAC5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2ncc(-c3c[nH]c4ccccc34)n12
InChIInChI=1S/C14H11N3S/c1-9-8-18-14-16-7-13(17(9)14)11-6-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3
InChIKeyGNFIPFWMTWHTCB-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.85
Rot. Bonds1

About 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole

5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 3740438) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID3740438
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2ncc(-c3c[nH]c4ccccc34)n12
InChIInChI=1S/C14H11N3S/c1-9-8-18-14-16-7-13(17(9)14)11-6-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3
InChIKeyGNFIPFWMTWHTCB-UHFFFAOYSA-N
XLogP3.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole (CID 3740438) is 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole is Cc1csc2ncc(-c3c[nH]c4ccccc34)n12.
What is the InChIKey of 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is GNFIPFWMTWHTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-9-8-18-14-16-7-13(17(9)14)11-6-15-12-5-3-2-4-10(11)12/h2-8,15H,1H3.
What are the key properties of 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 253.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3740438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).