4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C15H14N4S — CID 751816

IUPAC4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(-c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H14N4S/c1-10-4-5-11(2)12(8-10)13-9-20-15(18-13)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyDXPVHGPYKCKAJM-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.96
Rot. Bonds3

About 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 751816) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID751816
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(-c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H14N4S/c1-10-4-5-11(2)12(8-10)13-9-20-15(18-13)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyDXPVHGPYKCKAJM-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 751816) is 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is Cc1ccc(C)c(-c2csc(Nc3ncccn3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is DXPVHGPYKCKAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-4-5-11(2)12(8-10)13-9-20-15(18-13)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 751816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).