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

C9H7N5S — CID 107543503

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1csc(Nc2nccc(C#N)n2)n1
InChIInChI=1S/C9H7N5S/c1-6-5-15-9(12-6)14-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3,(H,11,12,13,14)
InChIKeyTYMWGJTTYDTWNA-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.86
Rot. Bonds2

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

2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543503) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107543503
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1csc(Nc2nccc(C#N)n2)n1
InChIInChI=1S/C9H7N5S/c1-6-5-15-9(12-6)14-8-11-3-2-7(4-10)13-8/h2-3,5H,1H3,(H,11,12,13,14)
InChIKeyTYMWGJTTYDTWNA-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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Related Compounds

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543959
2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543448
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 24825980
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551348
2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-(2-chloro-5-methylanilino)pyrimidine-4-carbonitrile
CID 107635202
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 61175143
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
4-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzonitrile
CID 55219904
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (CID 107543503) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is Cc1csc(Nc2nccc(C#N)n2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is TYMWGJTTYDTWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c1-6-5-15-9(12-6)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-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
2-[(4-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-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).