4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C15H14N4OS — CID 695894

IUPAC4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ncccn3)n2)cc1C
InChIInChI=1S/C15H14N4OS/c1-10-8-11(4-5-13(10)20-2)12-9-21-15(18-12)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyYMLQFVHWDYAYAN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.66
Rot. Bonds4

About 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 695894) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID695894
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ncccn3)n2)cc1C
InChIInChI=1S/C15H14N4OS/c1-10-8-11(4-5-13(10)20-2)12-9-21-15(18-12)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19)
InChIKeyYMLQFVHWDYAYAN-UHFFFAOYSA-N
XLogP3.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 695894) is 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ncccn3)n2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is YMLQFVHWDYAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-8-11(4-5-13(10)20-2)12-9-21-15(18-12)19-14-16-6-3-7-17-14/h3-9H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 695894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).