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

C13H15N3O2S — CID 47433522

IUPAC1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H15N3O2S/c1-8-4-5-11(18-3)10(6-8)15-12(17)16-13-14-9(2)7-19-13/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyRUPNPAYWTGYRFX-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.41
Rot. Bonds3

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

1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47433522) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47433522
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H15N3O2S/c1-8-4-5-11(18-3)10(6-8)15-12(17)16-13-14-9(2)7-19-13/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyRUPNPAYWTGYRFX-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47433522) is 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is COc1ccc(C)cc1NC(=O)Nc1nc(C)cs1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is RUPNPAYWTGYRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-4-5-11(18-3)10(6-8)15-12(17)16-13-14-9(2)7-19-13/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 277.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47433522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).