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

C15H20N4OS — CID 58749892

IUPAC(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea
SMILESCC(C)(C)C1CCc2nc3sc(NC(N)=O)nc3cc2C1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)9-4-5-10-8(6-9)7-11-12(17-10)21-14(18-11)19-13(16)20/h7,9H,4-6H2,1-3H3,(H3,16,18,19,20)
InChIKeyOEJYJSLBQKSDFH-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.33
Rot. Bonds1

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

(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea (PubChem CID 58749892) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea.

Molecular Properties

Compound Name(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea
PubChem CID58749892
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea
SMILESCC(C)(C)C1CCc2nc3sc(NC(N)=O)nc3cc2C1
InChIInChI=1S/C15H20N4OS/c1-15(2,3)9-4-5-10-8(6-9)7-11-12(17-10)21-14(18-11)19-13(16)20/h7,9H,4-6H2,1-3H3,(H3,16,18,19,20)
InChIKeyOEJYJSLBQKSDFH-UHFFFAOYSA-N
XLogP3.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
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-yl)urea?
The IUPAC name of (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea (CID 58749892) is (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea.
What is the SMILES notation for (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea?
The canonical SMILES for (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea is CC(C)(C)C1CCc2nc3sc(NC(N)=O)nc3cc2C1.
What is the InChIKey of (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea?
The InChIKey is OEJYJSLBQKSDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2,3)9-4-5-10-8(6-9)7-11-12(17-10)21-14(18-11)19-13(16)20/h7,9H,4-6H2,1-3H3,(H3,16,18,19,20).
What are the key properties of (7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea?
(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 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-yl)urea is sourced from PubChem (CID 58749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).