3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane

C15H22N4S — CID 144872027

IUPAC3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane
SMILESCC.CC.CNc1ncc(-c2cc(N)cc(C#N)c2)s1
InChIInChI=1S/C11H10N4S.2C2H6/c1-14-11-15-6-10(16-11)8-2-7(5-12)3-9(13)4-8;2*1-2/h2-4,6H,13H2,1H3,(H,14,15);2*1-2H3
InChIKeyOCHSICRAQGOMPA-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.36
Rot. Bonds2

About 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane

3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane (PubChem CID 144872027) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane.

Molecular Properties

Compound Name3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane
PubChem CID144872027
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane
SMILESCC.CC.CNc1ncc(-c2cc(N)cc(C#N)c2)s1
InChIInChI=1S/C11H10N4S.2C2H6/c1-14-11-15-6-10(16-11)8-2-7(5-12)3-9(13)4-8;2*1-2/h2-4,6H,13H2,1H3,(H,14,15);2*1-2H3
InChIKeyOCHSICRAQGOMPA-UHFFFAOYSA-N
XLogP4.36
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
N-methyl-5-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116811930
N-[3-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanesulfinamide
CID 155328489
1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 143508746
5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811891
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 116811791
N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 59177681
2,6-diaminopyridine-4-carbonitrile
CID 55284821
4-[(5-amino-1,3-thiazol-2-yl)amino]-3-bromobenzonitrile
CID 107787200

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane?
The IUPAC name of 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane (CID 144872027) is 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane.
What is the SMILES notation for 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane?
The canonical SMILES for 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane is CC.CC.CNc1ncc(-c2cc(N)cc(C#N)c2)s1.
What is the InChIKey of 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane?
The InChIKey is OCHSICRAQGOMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S.2C2H6/c1-14-11-15-6-10(16-11)8-2-7(5-12)3-9(13)4-8;2*1-2/h2-4,6H,13H2,1H3,(H,14,15);2*1-2H3.
What are the key properties of 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane?
3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane has a molecular weight of 290.44 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(methylamino)-1,3-thiazol-5-yl]benzonitrile;ethane is sourced from PubChem (CID 144872027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).