5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

C16H18N4OS — CID 86790648

IUPAC5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2cnc(NCc3ccnn3C)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-20-13(7-8-19-20)10-17-16-18-11-15(22-16)9-12-3-5-14(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyUHSJWKNOORKXTE-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.09
Rot. Bonds6

About 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 86790648) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID86790648
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2cnc(NCc3ccnn3C)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-20-13(7-8-19-20)10-17-16-18-11-15(22-16)9-12-3-5-14(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyUHSJWKNOORKXTE-UHFFFAOYSA-N
XLogP3.09
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 86790648) is 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is COc1ccc(Cc2cnc(NCc3ccnn3C)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UHSJWKNOORKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-20-13(7-8-19-20)10-17-16-18-11-15(22-16)9-12-3-5-14(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86790648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).