1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol

C16H23N3OS — CID 143292761

IUPAC1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol
SMILESCC(O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H23N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8-9,11,20H,5-7H2,1-4H3,(H,17,19)
InChIKeyIYGAIBXEDCURGQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.59
Rot. Bonds2

About 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol

1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol (PubChem CID 143292761) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol
PubChem CID143292761
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol
SMILESCC(O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H23N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8-9,11,20H,5-7H2,1-4H3,(H,17,19)
InChIKeyIYGAIBXEDCURGQ-UHFFFAOYSA-N
XLogP3.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol?
The IUPAC name of 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol (CID 143292761) is 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol.
What is the SMILES notation for 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol?
The canonical SMILES for 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol is CC(O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3.
What is the InChIKey of 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol?
The InChIKey is IYGAIBXEDCURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8-9,11,20H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol?
1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol has a molecular weight of 305.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol is sourced from PubChem (CID 143292761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).