3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile

C11H11N5S — CID 79375794

IUPAC3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nccc(CNc2snc(C)c2C#N)n1
InChIInChI=1S/C11H11N5S/c1-7-10(5-12)11(17-16-7)14-6-9-3-4-13-8(2)15-9/h3-4,14H,6H2,1-2H3
InChIKeyQGOWIGVNVSCMBY-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile

3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 79375794) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID79375794
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nccc(CNc2snc(C)c2C#N)n1
InChIInChI=1S/C11H11N5S/c1-7-10(5-12)11(17-16-7)14-6-9-3-4-13-8(2)15-9/h3-4,14H,6H2,1-2H3
InChIKeyQGOWIGVNVSCMBY-UHFFFAOYSA-N
XLogP2.03
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile (CID 79375794) is 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile is Cc1nccc(CNc2snc(C)c2C#N)n1.
What is the InChIKey of 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is QGOWIGVNVSCMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-10(5-12)11(17-16-7)14-6-9-3-4-13-8(2)15-9/h3-4,14H,6H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).