4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C14H12N4OS — CID 24825980

IUPAC4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccc(Oc3ccccc3)n2)n1
InChIInChI=1S/C14H12N4OS/c1-10-9-20-14(16-10)18-13-15-8-7-12(17-13)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17,18)
InChIKeyHNMPEPGTTIGTTM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 24825980) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID24825980
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccc(Oc3ccccc3)n2)n1
InChIInChI=1S/C14H12N4OS/c1-10-9-20-14(16-10)18-13-15-8-7-12(17-13)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17,18)
InChIKeyHNMPEPGTTIGTTM-UHFFFAOYSA-N
XLogP3.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 24825980) is 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1csc(Nc2nccc(Oc3ccccc3)n2)n1.
What is the InChIKey of 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HNMPEPGTTIGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10-9-20-14(16-10)18-13-15-8-7-12(17-13)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,17,18).
What are the key properties of 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 284.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24825980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).