1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

C12H14N4O2S — CID 30854193

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2nncs2)cc1
InChIInChI=1S/C12H14N4O2S/c1-18-10-4-2-9(3-5-10)6-7-13-11(17)15-12-16-14-8-19-12/h2-5,8H,6-7H2,1H3,(H2,13,15,16,17)
InChIKeyHFVKPPKGQGBFCP-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 30854193) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID30854193
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2nncs2)cc1
InChIInChI=1S/C12H14N4O2S/c1-18-10-4-2-9(3-5-10)6-7-13-11(17)15-12-16-14-8-19-12/h2-5,8H,6-7H2,1H3,(H2,13,15,16,17)
InChIKeyHFVKPPKGQGBFCP-UHFFFAOYSA-N
XLogP1.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
methyl 2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxylate
CID 121080666
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192939
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623570
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 30854193) is 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is COc1ccc(CCNC(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is HFVKPPKGQGBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-18-10-4-2-9(3-5-10)6-7-13-11(17)15-12-16-14-8-19-12/h2-5,8H,6-7H2,1H3,(H2,13,15,16,17).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 278.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 30854193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).