4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole

C14H16N2S — CID 664372

IUPAC4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCCc1ccc2c(c1)c1nc(C)sc1n2CC
InChIInChI=1S/C14H16N2S/c1-4-10-6-7-12-11(8-10)13-14(16(12)5-2)17-9(3)15-13/h6-8H,4-5H2,1-3H3
InChIKeyQHGDVAVJDUCAQO-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.14
Rot. Bonds2

About 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole

4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole (PubChem CID 664372) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole
PubChem CID664372
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole
SMILESCCc1ccc2c(c1)c1nc(C)sc1n2CC
InChIInChI=1S/C14H16N2S/c1-4-10-6-7-12-11(8-10)13-14(16(12)5-2)17-9(3)15-13/h6-8H,4-5H2,1-3H3
InChIKeyQHGDVAVJDUCAQO-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole (CID 664372) is 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole is CCc1ccc2c(c1)c1nc(C)sc1n2CC.
What is the InChIKey of 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is QHGDVAVJDUCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-4-10-6-7-12-11(8-10)13-14(16(12)5-2)17-9(3)15-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole?
4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 244.36 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-2-methyl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).