4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine

C14H12N4OS — CID 155410103

IUPAC4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2cccc(-c3csc(N)n3)c2)cn1
InChIInChI=1S/C14H12N4OS/c1-19-14-16-6-11(7-17-14)9-3-2-4-10(5-9)12-8-20-13(15)18-12/h2-8H,1H3,(H2,15,18)
InChIKeyBLVUHCSKBQKQFA-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.86
Rot. Bonds3

About 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine

4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155410103) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID155410103
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2cccc(-c3csc(N)n3)c2)cn1
InChIInChI=1S/C14H12N4OS/c1-19-14-16-6-11(7-17-14)9-3-2-4-10(5-9)12-8-20-13(15)18-12/h2-8H,1H3,(H2,15,18)
InChIKeyBLVUHCSKBQKQFA-UHFFFAOYSA-N
XLogP2.86
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
4-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491
4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
CID 82452981
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 157047054
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine (CID 155410103) is 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine is COc1ncc(-c2cccc(-c3csc(N)n3)c2)cn1.
What is the InChIKey of 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is BLVUHCSKBQKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-14-16-6-11(7-17-14)9-3-2-4-10(5-9)12-8-20-13(15)18-12/h2-8H,1H3,(H2,15,18).
What are the key properties of 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine?
4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 284.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155410103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).