4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile

C14H15N3S — CID 62104295

IUPAC4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
SMILESCc1ccc(C#N)cc1NCCc1scnc1C
InChIInChI=1S/C14H15N3S/c1-10-3-4-12(8-15)7-13(10)16-6-5-14-11(2)17-9-18-14/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyLNYZCDUYNGDNNB-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.29
Rot. Bonds4

About 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile

4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile (PubChem CID 62104295) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
PubChem CID62104295
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
SMILESCc1ccc(C#N)cc1NCCc1scnc1C
InChIInChI=1S/C14H15N3S/c1-10-3-4-12(8-15)7-13(10)16-6-5-14-11(2)17-9-18-14/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyLNYZCDUYNGDNNB-UHFFFAOYSA-N
XLogP3.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 82016405
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
4-methyl-3-(2-phenylethylamino)benzonitrile
CID 62103349
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
2,3,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809050
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
CID 62070632
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 62071321
4-methyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzonitrile
CID 55114175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile?
The IUPAC name of 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile (CID 62104295) is 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile is Cc1ccc(C#N)cc1NCCc1scnc1C.
What is the InChIKey of 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile?
The InChIKey is LNYZCDUYNGDNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-3-4-12(8-15)7-13(10)16-6-5-14-11(2)17-9-18-14/h3-4,7,9,16H,5-6H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile?
4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile is sourced from PubChem (CID 62104295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).