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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Related Compounds

(R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole
CID 10428027
N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
CID 664312
methyl (2-methyl-4H-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 953929
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazole
CID 11603194
Methyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 666834
Ethyl 2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)acetate
CID 1837768
4-Benzyl-7-fluoro-2-methyl-4H-thiazolo[5,4-b]indole
CID 2039005
Diethyl-[2-(7-fluoro-2-methyl-thiazolo[5,4-b]indol-4-yl)-ethyl]-amine
CID 2996931
[2-(7-Chloro-2-methyl-thiazolo[5,4-b]indol-4-yl)-ethyl]-diethyl-amine
CID 2997137
7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole
CID 9551825
7-fluoro-2-methyl-4-(2-(piperidin-1-yl)ethyl)-4H-thiazolo[5,4-b]indole hydrochloride
CID 16187650
3-ethyl-2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium iodide
CID 145968256

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).