1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea

C18H18N4O2S — CID 1335320

IUPAC1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1
InChIInChI=1S/C18H18N4O2S/c1-3-24-15-9-7-14(8-10-15)19-17(23)20-18-22-21-16(25-18)13-6-4-5-12(2)11-13/h4-11H,3H2,1-2H3,(H2,19,20,22,23)
InChIKeyNMYGNAHSBRIEKE-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea

1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1335320) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID1335320
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1
InChIInChI=1S/C18H18N4O2S/c1-3-24-15-9-7-14(8-10-15)19-17(23)20-18-22-21-16(25-18)13-6-4-5-12(2)11-13/h4-11H,3H2,1-2H3,(H2,19,20,22,23)
InChIKeyNMYGNAHSBRIEKE-UHFFFAOYSA-N
XLogP4.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1385010
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
1-[5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1386876
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
ethyl 2-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 7163724
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
1-(2,4-dichlorophenyl)-3-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1417574
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 2895163
2-acetamido-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3926710
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 4146881

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea (CID 1335320) is 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea is CCOc1ccc(NC(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is NMYGNAHSBRIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-24-15-9-7-14(8-10-15)19-17(23)20-18-22-21-16(25-18)13-6-4-5-12(2)11-13/h4-11H,3H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 354.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1335320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).