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

C29H38N6OS2 — CID 158844131

IUPAC7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
SMILESCC(C)(C)C1CCc2nc3sc(N)nc3cc2C1.CC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1
InChIInChI=1S/C15H19N3OS.C14H19N3S/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19;1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7-8,10H,4-6H2,1-3H3,(H,16,18,19);7,9H,4-6H2,1-3H3,(H2,15,17)
InChIKeyIYPNLCCMYGEKSV-UHFFFAOYSA-N
MW550.80 g/mol
LogP6.84
Rot. Bonds2

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

7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide (PubChem CID 158844131) has the molecular formula C29H38N6OS2 and a molecular weight of 550.80 g/mol. Its IUPAC name is 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide.

Molecular Properties

Compound Name7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
PubChem CID158844131
Molecular FormulaC29H38N6OS2
Molecular Weight550.80 g/mol
Exact Mass550.25
IUPAC Name7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide
SMILESCC(C)(C)C1CCc2nc3sc(N)nc3cc2C1.CC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1
InChIInChI=1S/C15H19N3OS.C14H19N3S/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19;1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7-8,10H,4-6H2,1-3H3,(H,16,18,19);7,9H,4-6H2,1-3H3,(H2,15,17)
InChIKeyIYPNLCCMYGEKSV-UHFFFAOYSA-N
XLogP6.84
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.80
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551050
N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551924
1-(3,3-Diphenylpropyl)-1-(2-pyridin-2-ylethyl)-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 57586331
7-Tert-butyl-5,6,7,8-tetrahydrothiazolo[5,4-b]quinolin-2-ylamine
CID 58749603
N-(7-tert-butyl-5,6,7,8-tetrahydrothiazolo[5,4-b]quinolin-2-yl)-acetamide
CID 58749674
N-(7-tert-butyl-5,6,7,8-tetrahydrothiazolo[5,4-b]quinolin-2-yl)-formamide
CID 58749868
(7-Tert-butyl-5,6,7,8-tetrahydrothiazolo[5,4-b]quinolin-2-yl)-urea
CID 58749892
1-(2-Methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-3-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]urea
CID 141740612
1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-(1-ethylpiperidin-4-yl)ethyl]urea
CID 142682145
1-[(7-Tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)amino]ethanol
CID 143292761
ethane;formaldehyde;N-[5-[4-(hydroxyamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]formamide
CID 143927849
N-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide
CID 152974295

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;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The IUPAC name of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide (CID 158844131) is 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;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 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The canonical SMILES for 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide is CC(C)(C)C1CCc2nc3sc(N)nc3cc2C1.CC(C)(C)C1CCc2nc3sc(NC=O)nc3cc2C1.
What is the InChIKey of 7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
The InChIKey is IYPNLCCMYGEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.C14H19N3S/c1-15(2,3)10-4-5-11-9(6-10)7-12-13(17-11)20-14(18-12)16-8-19;1-14(2,3)9-4-5-10-8(6-9)7-11-12(16-10)18-13(15)17-11/h7-8,10H,4-6H2,1-3H3,(H,16,18,19);7,9H,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;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide?
7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-amine;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide has a molecular weight of 550.80 g/mol, XLogP of 6.84, 2 rotatable bonds, 2 hydrogen bond donors, and 8 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;N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)formamide is sourced from PubChem (CID 158844131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).