4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole

C13H14N2S — CID 942705

IUPAC4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole
SMILESCCn1c2ccc(C)cc2c2nc(C)sc21
InChIInChI=1S/C13H14N2S/c1-4-15-11-6-5-8(2)7-10(11)12-13(15)16-9(3)14-12/h5-7H,4H2,1-3H3
InChIKeyZSFNXPNBOWJZLN-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.89
Rot. Bonds1

About 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole

4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole (PubChem CID 942705) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole
PubChem CID942705
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole
SMILESCCn1c2ccc(C)cc2c2nc(C)sc21
InChIInChI=1S/C13H14N2S/c1-4-15-11-6-5-8(2)7-10(11)12-13(15)16-9(3)14-12/h5-7H,4H2,1-3H3
InChIKeyZSFNXPNBOWJZLN-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole (CID 942705) is 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole is CCn1c2ccc(C)cc2c2nc(C)sc21.
What is the InChIKey of 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is ZSFNXPNBOWJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-4-15-11-6-5-8(2)7-10(11)12-13(15)16-9(3)14-12/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole?
4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 230.34 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,7-dimethyl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).