ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C26H39N3S — CID 159093482

IUPACethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.CC.CC.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2scnc2c1
InChIInChI=1S/C12H13N.C9H10N2S.2C2H6.CH4/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-6(2)7-3-8-9(10-4-7)12-5-11-8;2*1-2;/h3-9H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyKCJBQSOMJYENOH-UHFFFAOYSA-N
MW425.69 g/mol
LogP8.86
Rot. Bonds2

About ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159093482) has the molecular formula C26H39N3S and a molecular weight of 425.69 g/mol. Its IUPAC name is ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID159093482
Molecular FormulaC26H39N3S
Molecular Weight425.69 g/mol
Exact Mass425.29
IUPAC Nameethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESC.CC.CC.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2scnc2c1
InChIInChI=1S/C12H13N.C9H10N2S.2C2H6.CH4/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-6(2)7-3-8-9(10-4-7)12-5-11-8;2*1-2;/h3-9H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyKCJBQSOMJYENOH-UHFFFAOYSA-N
XLogP8.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.69
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-(4-chloropentan-2-yl)quinoline
CID 64721460
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
fluoro(quinolin-3-yl)methanol
CID 163892772
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
ethane;N-methyl-2-morpholin-4-ylethanamine;3-propan-2-ylquinoline
CID 144672384
6-fluoro-3-propan-2-ylquinoline
CID 90132820
7-fluoro-3-propan-2-ylquinoline
CID 118097497
ethane;[1,3]thiazolo[5,4-b]pyridine
CID 123698734
[(4-methylthiadiazol-5-yl)-quinolin-3-ylmethyl]hydrazine
CID 105286857
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
2-methoxy-3-methyl-1-quinolin-3-ylbutan-1-amine
CID 116719597
1-quinolin-3-ylbutan-1-ol
CID 60924193

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 159093482) is ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is C.CC.CC.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2scnc2c1.
What is the InChIKey of ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is KCJBQSOMJYENOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C9H10N2S.2C2H6.CH4/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-6(2)7-3-8-9(10-4-7)12-5-11-8;2*1-2;/h3-9H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 425.69 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159093482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).