1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea

C17H16N4O2S2 — CID 1385139

IUPAC1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C17H16N4O2S2/c1-23-14-10-6-5-9-13(14)18-16(22)19-17-21-20-15(25-17)11-24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,21,22)
InChIKeyGQZYMYSBMLVEIE-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.48
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea

1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1385139) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID1385139
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C17H16N4O2S2/c1-23-14-10-6-5-9-13(14)18-16(22)19-17-21-20-15(25-17)11-24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,21,22)
InChIKeyGQZYMYSBMLVEIE-UHFFFAOYSA-N
XLogP4.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(2-methoxyphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075779
N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 1075855
2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1075751
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1075856
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
(2S)-2-chloro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732755
1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 22509881
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1335345
1-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 50825387
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411
2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321459

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea (CID 1385139) is 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea is COc1ccccc1NC(=O)Nc1nnc(CSc2ccccc2)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is GQZYMYSBMLVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-23-14-10-6-5-9-13(14)18-16(22)19-17-21-20-15(25-17)11-24-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,18,19,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 372.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1385139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).