4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile

C12H11N3S — CID 13144617

IUPAC4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(N(C)c2ccccc2)sc1C#N
InChIInChI=1S/C12H11N3S/c1-9-11(8-13)16-12(14-9)15(2)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyWLASVHNIJSMGSJ-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.09
Rot. Bonds2

About 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile

4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile (PubChem CID 13144617) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile
PubChem CID13144617
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(N(C)c2ccccc2)sc1C#N
InChIInChI=1S/C12H11N3S/c1-9-11(8-13)16-12(14-9)15(2)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyWLASVHNIJSMGSJ-UHFFFAOYSA-N
XLogP3.09
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile (CID 13144617) is 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile is Cc1nc(N(C)c2ccccc2)sc1C#N.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile?
The InChIKey is WLASVHNIJSMGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-9-11(8-13)16-12(14-9)15(2)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile?
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 13144617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).