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

C14H13N3O2S — CID 2745842

IUPAC4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2csc(-c3c(C)noc3N)n2)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-12(13(15)19-17-8)14-16-11(7-20-14)9-3-5-10(18-2)6-4-9/h3-7H,15H2,1-2H3
InChIKeyXHZSSNXGOIJISJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.36
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine (PubChem CID 2745842) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine
PubChem CID2745842
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2csc(-c3c(C)noc3N)n2)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-12(13(15)19-17-8)14-16-11(7-20-14)9-3-5-10(18-2)6-4-9/h3-7H,15H2,1-2H3
InChIKeyXHZSSNXGOIJISJ-UHFFFAOYSA-N
XLogP3.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Isoxazole, 5-[5-[4-(4,5-dimethyl-2-thiazolyl)phenoxy]pentyl]-3-methyl-
CID 5273093
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
3-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17417565
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7733308
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
CID 2745401
3-Methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
CID 2745855
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403210
3-Methyl-5-[7-[4-(2-methylthiazol-4-yl)phenoxy]heptyl]isoxazole
CID 6483426
2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16358871
N-(3-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 1194302
N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 2745903

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine (CID 2745842) is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine is COc1ccc(-c2csc(-c3c(C)noc3N)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine?
The InChIKey is XHZSSNXGOIJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-12(13(15)19-17-8)14-16-11(7-20-14)9-3-5-10(18-2)6-4-9/h3-7H,15H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine?
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine has a molecular weight of 287.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 2745842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).