1-phenyl-3-(thiadiazol-4-ylmethyl)urea

C10H10N4OS — CID 174441234

IUPAC1-phenyl-3-(thiadiazol-4-ylmethyl)urea
SMILESO=C(NCc1csnn1)Nc1ccccc1
InChIInChI=1S/C10H10N4OS/c15-10(11-6-9-7-16-14-13-9)12-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,15)
InChIKeyXSGVGAKVDHWTJR-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.86
Rot. Bonds3

About 1-phenyl-3-(thiadiazol-4-ylmethyl)urea

1-phenyl-3-(thiadiazol-4-ylmethyl)urea (PubChem CID 174441234) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-phenyl-3-(thiadiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(thiadiazol-4-ylmethyl)urea
PubChem CID174441234
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name1-phenyl-3-(thiadiazol-4-ylmethyl)urea
SMILESO=C(NCc1csnn1)Nc1ccccc1
InChIInChI=1S/C10H10N4OS/c15-10(11-6-9-7-16-14-13-9)12-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,15)
InChIKeyXSGVGAKVDHWTJR-UHFFFAOYSA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
thiadiazol-4-yl N-phenylcarbamate
CID 67362884
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea
CID 110874729
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2-chloro-N-phenyl-2-(thiadiazol-4-yl)acetamide
CID 141393287
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(thiadiazol-4-ylmethyl)urea?
The IUPAC name of 1-phenyl-3-(thiadiazol-4-ylmethyl)urea (CID 174441234) is 1-phenyl-3-(thiadiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-phenyl-3-(thiadiazol-4-ylmethyl)urea?
The canonical SMILES for 1-phenyl-3-(thiadiazol-4-ylmethyl)urea is O=C(NCc1csnn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(thiadiazol-4-ylmethyl)urea?
The InChIKey is XSGVGAKVDHWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c15-10(11-6-9-7-16-14-13-9)12-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,12,15).
What are the key properties of 1-phenyl-3-(thiadiazol-4-ylmethyl)urea?
1-phenyl-3-(thiadiazol-4-ylmethyl)urea has a molecular weight of 234.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(thiadiazol-4-ylmethyl)urea is sourced from PubChem (CID 174441234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).