7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine

C14H19N3S — CID 58749603

IUPAC7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine
SMILESCC(C)(C)C1CCc2nc3sc(N)nc3cc2C1
InChIInChI=1S/C14H19N3S/c1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7,9H,4-6H2,1-3H3,(H2,15,17)
InChIKeyJKEGTIUDLGNJJM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.42
Rot. Bonds

About 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine

7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine (PubChem CID 58749603) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine.

Molecular Properties

Compound Name7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine
PubChem CID58749603
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine
SMILESCC(C)(C)C1CCc2nc3sc(N)nc3cc2C1
InChIInChI=1S/C14H19N3S/c1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7,9H,4-6H2,1-3H3,(H2,15,17)
InChIKeyJKEGTIUDLGNJJM-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine?
The IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine (CID 58749603) is 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine.
What is the SMILES notation for 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine?
The canonical SMILES for 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine is CC(C)(C)C1CCc2nc3sc(N)nc3cc2C1.
What is the InChIKey of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine?
The InChIKey is JKEGTIUDLGNJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7,9H,4-6H2,1-3H3,(H2,15,17).
What are the key properties of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine?
7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine is sourced from PubChem (CID 58749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).