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

C16H21Cl2N3S — CID 2997137

IUPAC2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccc(Cl)cc2c2nc(C)sc21.Cl
InChIInChI=1S/C16H20ClN3S.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
InChIKeyLVHHOSPRPIMJQV-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.98
Rot. Bonds5

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

2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride (PubChem CID 2997137) has the molecular formula C16H21Cl2N3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride
PubChem CID2997137
Molecular FormulaC16H21Cl2N3S
Molecular Weight358.34 g/mol
Exact Mass357.08
IUPAC Name2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCn1c2ccc(Cl)cc2c2nc(C)sc21.Cl
InChIInChI=1S/C16H20ClN3S.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
InChIKeyLVHHOSPRPIMJQV-UHFFFAOYSA-N
XLogP4.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride (CID 2997137) is 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride is CCN(CC)CCn1c2ccc(Cl)cc2c2nc(C)sc21.Cl.
What is the InChIKey of 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride?
The InChIKey is LVHHOSPRPIMJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S.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 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride?
2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride has a molecular weight of 358.34 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 2997137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).