1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea

C14H14N6O2S — CID 47089378

IUPAC1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(-n2cc(CNC(=O)Nc3nccs3)nn2)c1
InChIInChI=1S/C14H14N6O2S/c1-22-12-4-2-3-11(7-12)20-9-10(18-19-20)8-16-13(21)17-14-15-5-6-23-14/h2-7,9H,8H2,1H3,(H2,15,16,17,21)
InChIKeyRNCQYOYIEFKVSM-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.05
Rot. Bonds5

About 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 47089378) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID47089378
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(-n2cc(CNC(=O)Nc3nccs3)nn2)c1
InChIInChI=1S/C14H14N6O2S/c1-22-12-4-2-3-11(7-12)20-9-10(18-19-20)8-16-13(21)17-14-15-5-6-23-14/h2-7,9H,8H2,1H3,(H2,15,16,17,21)
InChIKeyRNCQYOYIEFKVSM-UHFFFAOYSA-N
XLogP2.05
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 47089378) is 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea is COc1cccc(-n2cc(CNC(=O)Nc3nccs3)nn2)c1.
What is the InChIKey of 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is RNCQYOYIEFKVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-22-12-4-2-3-11(7-12)20-9-10(18-19-20)8-16-13(21)17-14-15-5-6-23-14/h2-7,9H,8H2,1H3,(H2,15,16,17,21).
What are the key properties of 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 330.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).