cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole

C36H58N4OS — CID 159242302

IUPACcumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1
InChIInChI=1S/C10H14N2O.C9H12.C8H11N.C6H9NS.3CH4/c1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-8-6;;;/h5-7H,3-4H2,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyKUGBSBXKWVOISJ-UHFFFAOYSA-N
MW594.95 g/mol
LogP11.20
Rot. Bonds4

About cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole

cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole (PubChem CID 159242302) has the molecular formula C36H58N4OS and a molecular weight of 594.95 g/mol. Its IUPAC name is cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
PubChem CID159242302
Molecular FormulaC36H58N4OS
Molecular Weight594.95 g/mol
Exact Mass594.43
IUPAC Namecumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1
InChIInChI=1S/C10H14N2O.C9H12.C8H11N.C6H9NS.3CH4/c1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-8-6;;;/h5-7H,3-4H2,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyKUGBSBXKWVOISJ-UHFFFAOYSA-N
XLogP11.20
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.95
LogP ≤ 511.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hpk1-IN-26
CID 122197569
N-(3-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329397
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
5-[2-(1-Ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
CID 162672976
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
4-cyclohexyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742658
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 57742806
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 57742807

Frequently Asked Questions

What is the IUPAC name of cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole (CID 159242302) is cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole is C.C.C.CC(C)c1ccccc1.CC(C)c1ccncc1.CC(C)c1cnc2c(c1)OCCN2.CC(C)c1cncs1.
What is the InChIKey of cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?
The InChIKey is KUGBSBXKWVOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C9H12.C8H11N.C6H9NS.3CH4/c1-7(2)8-5-9-10(12-6-8)11-3-4-13-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-4-8-6;;;/h5-7H,3-4H2,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3*1H4.
What are the key properties of cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole?
cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole has a molecular weight of 594.95 g/mol, XLogP of 11.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).