N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride

C16H21ClFN3S — CID 2996931

IUPACN,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccc(F)cc2c2nc(C)sc21.Cl
InChIInChI=1S/C16H20FN3S.ClH/c1-4-19(5-2)8-9-20-14-7-6-12(17)10-13(14)15-16(20)21-11(3)18-15;/h6-7,10H,4-5,8-9H2,1-3H3;1H
InChIKeyZYNSBNMUROARLQ-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.46
Rot. Bonds5

About N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride

N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride (PubChem CID 2996931) has the molecular formula C16H21ClFN3S and a molecular weight of 341.88 g/mol. Its IUPAC name is N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride
PubChem CID2996931
Molecular FormulaC16H21ClFN3S
Molecular Weight341.88 g/mol
Exact Mass341.11
IUPAC NameN,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccc(F)cc2c2nc(C)sc21.Cl
InChIInChI=1S/C16H20FN3S.ClH/c1-4-19(5-2)8-9-20-14-7-6-12(17)10-13(14)15-16(20)21-11(3)18-15;/h6-7,10H,4-5,8-9H2,1-3H3;1H
InChIKeyZYNSBNMUROARLQ-UHFFFAOYSA-N
XLogP4.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride (CID 2996931) is N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride is CCN(CC)CCn1c2ccc(F)cc2c2nc(C)sc21.Cl.
What is the InChIKey of N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride?
The InChIKey is ZYNSBNMUROARLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S.ClH/c1-4-19(5-2)8-9-20-14-7-6-12(17)10-13(14)15-16(20)21-11(3)18-15;/h6-7,10H,4-5,8-9H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride?
N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-fluoro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 2996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).