1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C12H13N3O2S — CID 771042

IUPAC1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-7-13-12(18-8)15-11(16)14-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyOHPUNXDCCJNSEH-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 771042) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID771042
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-7-13-12(18-8)15-11(16)14-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyOHPUNXDCCJNSEH-UHFFFAOYSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 771042) is 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is COc1ccc(NC(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is OHPUNXDCCJNSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-7-13-12(18-8)15-11(16)14-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 263.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 771042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).