4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile

C11H9N3S — CID 17446227

IUPAC4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCNc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C11H9N3S/c1-13-11-14-10(7-15-11)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyTYGNMCAGUHPZDD-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.72
Rot. Bonds2

About 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile

4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 17446227) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
PubChem CID17446227
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCNc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C11H9N3S/c1-13-11-14-10(7-15-11)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyTYGNMCAGUHPZDD-UHFFFAOYSA-N
XLogP2.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-methyl-1,3-thiazol-2-amine;4-(2-bromoacetyl)benzonitrile;4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 158928579
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
CID 16653105
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71456516
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63379357
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile (CID 17446227) is 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile is CNc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is TYGNMCAGUHPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-13-11-14-10(7-15-11)9-4-2-8(6-12)3-5-9/h2-5,7H,1H3,(H,13,14).
What are the key properties of 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 17446227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).