2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile

C9H7N5S — CID 107543448

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cnc(Nc2nccc(C#N)n2)s1
InChIInChI=1S/C9H7N5S/c1-6-5-12-9(15-6)14-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3,(H,11,12,13,14)
InChIKeySBZLLTSBDQOTFZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.86
Rot. Bonds2

About 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile

2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543448) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107543448
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cnc(Nc2nccc(C#N)n2)s1
InChIInChI=1S/C9H7N5S/c1-6-5-12-9(15-6)14-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3,(H,11,12,13,14)
InChIKeySBZLLTSBDQOTFZ-UHFFFAOYSA-N
XLogP1.86
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (CID 107543448) is 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is Cc1cnc(Nc2nccc(C#N)n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is SBZLLTSBDQOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c1-6-5-12-9(15-6)14-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3,(H,11,12,13,14).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 217.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).