2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

C12H11N3S — CID 104770206

IUPAC2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)Nc2ccccc2)n1
InChIInChI=1S/C12H11N3S/c1-9-8-16-12(14-9)11(7-13)15-10-5-3-2-4-6-10/h2-6,8,11,15H,1H3
InChIKeyXYYTYUCGIPBNAP-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.13
Rot. Bonds3

About 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 104770206) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID104770206
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)Nc2ccccc2)n1
InChIInChI=1S/C12H11N3S/c1-9-8-16-12(14-9)11(7-13)15-10-5-3-2-4-6-10/h2-6,8,11,15H,1H3
InChIKeyXYYTYUCGIPBNAP-UHFFFAOYSA-N
XLogP3.13
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (CID 104770206) is 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is Cc1csc(C(C#N)Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is XYYTYUCGIPBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-9-8-16-12(14-9)11(7-13)15-10-5-3-2-4-6-10/h2-6,8,11,15H,1H3.
What are the key properties of 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 229.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 104770206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).