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

C15H19N3OS — CID 58749868

IUPACN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
SMILESCC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19/h7-8,10H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyXDCJQMAZXHYYTE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.41
Rot. Bonds2

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

N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide (PubChem CID 58749868) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide.

Molecular Properties

Compound NameN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
PubChem CID58749868
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
SMILESCC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19/h7-8,10H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyXDCJQMAZXHYYTE-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The IUPAC name of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide (CID 58749868) is N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide.
What is the SMILES notation for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The canonical SMILES for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide is CC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1.
What is the InChIKey of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The InChIKey is XDCJQMAZXHYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19/h7-8,10H,4-6H2,1-3H3,(H,16,18,19).
What are the key properties of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide has a molecular weight of 289.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide is sourced from PubChem (CID 58749868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).