1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea

C14H18N4OS — CID 166237150

IUPAC1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)N(C)CCc1ccccc1)c1csnn1
InChIInChI=1S/C14H18N4OS/c1-11(13-10-20-17-16-13)15-14(19)18(2)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,19)
InChIKeyNBYGXFYMVKUSKR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds5

About 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea

1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea (PubChem CID 166237150) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea
PubChem CID166237150
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)N(C)CCc1ccccc1)c1csnn1
InChIInChI=1S/C14H18N4OS/c1-11(13-10-20-17-16-13)15-14(19)18(2)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,19)
InChIKeyNBYGXFYMVKUSKR-UHFFFAOYSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea (CID 166237150) is 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea is CC(NC(=O)N(C)CCc1ccccc1)c1csnn1.
What is the InChIKey of 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea?
The InChIKey is NBYGXFYMVKUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11(13-10-20-17-16-13)15-14(19)18(2)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea?
1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenylethyl)-3-[1-(thiadiazol-4-yl)ethyl]urea is sourced from PubChem (CID 166237150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).