ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine

C16H21N3O2S — CID 143363287

IUPACethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
SMILESCC.CO.COc1ccc2ccc(-c3csc(N)n3)nc2c1
InChIInChI=1S/C13H11N3OS.C2H6.CH4O/c1-17-9-4-2-8-3-5-10(15-11(8)6-9)12-7-18-13(14)16-12;2*1-2/h2-7H,1H3,(H2,14,16);1-2H3;2H,1H3
InChIKeyVADUSDYDSMEECK-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.58
Rot. Bonds2

About ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine

ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine (PubChem CID 143363287) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
PubChem CID143363287
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Nameethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
SMILESCC.CO.COc1ccc2ccc(-c3csc(N)n3)nc2c1
InChIInChI=1S/C13H11N3OS.C2H6.CH4O/c1-17-9-4-2-8-3-5-10(15-11(8)6-9)12-7-18-13(14)16-12;2*1-2/h2-7H,1H3,(H2,14,16);1-2H3;2H,1H3
InChIKeyVADUSDYDSMEECK-UHFFFAOYSA-N
XLogP3.58
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
CID 164678928
(2-amino-1,3-thiazol-4-yl)-(2,4-dimethoxyphenyl)methanone
CID 82133581
3-bromo-7-methoxyquinolin-2-amine
CID 126637777
2-(cyclohexen-1-yl)-7-methoxyquinoline
CID 140669537
4-[2-(6-methoxynaphthalen-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040091
4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
CID 82452981
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77039954
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 82304530
bis(4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine);methanol;nickel(2+);thiocyanate
CID 50922195

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine (CID 143363287) is ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine is CC.CO.COc1ccc2ccc(-c3csc(N)n3)nc2c1.
What is the InChIKey of ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VADUSDYDSMEECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS.C2H6.CH4O/c1-17-9-4-2-8-3-5-10(15-11(8)6-9)12-7-18-13(14)16-12;2*1-2/h2-7H,1H3,(H2,14,16);1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine?
ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-(7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143363287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).