(5-phenyl-1,2,4-thiadiazol-3-yl)urea

C9H8N4OS — CID 13131314

IUPAC(5-phenyl-1,2,4-thiadiazol-3-yl)urea
SMILESNC(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4OS/c10-8(14)12-9-11-7(15-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,12,13,14)
InChIKeyDADWYVMVHRZGOE-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.70
Rot. Bonds2

About (5-phenyl-1,2,4-thiadiazol-3-yl)urea

(5-phenyl-1,2,4-thiadiazol-3-yl)urea (PubChem CID 13131314) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is (5-phenyl-1,2,4-thiadiazol-3-yl)urea.

Molecular Properties

Compound Name(5-phenyl-1,2,4-thiadiazol-3-yl)urea
PubChem CID13131314
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name(5-phenyl-1,2,4-thiadiazol-3-yl)urea
SMILESNC(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4OS/c10-8(14)12-9-11-7(15-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,12,13,14)
InChIKeyDADWYVMVHRZGOE-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 44669111
1-phenyl-3-(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 102116941
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241558
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 4256680
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide
CID 11154392
(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate
CID 56687986
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide
CID 2212627
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 69484177

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2,4-thiadiazol-3-yl)urea?
The IUPAC name of (5-phenyl-1,2,4-thiadiazol-3-yl)urea (CID 13131314) is (5-phenyl-1,2,4-thiadiazol-3-yl)urea.
What is the SMILES notation for (5-phenyl-1,2,4-thiadiazol-3-yl)urea?
The canonical SMILES for (5-phenyl-1,2,4-thiadiazol-3-yl)urea is NC(=O)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of (5-phenyl-1,2,4-thiadiazol-3-yl)urea?
The InChIKey is DADWYVMVHRZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-8(14)12-9-11-7(15-13-9)6-4-2-1-3-5-6/h1-5H,(H3,10,12,13,14).
What are the key properties of (5-phenyl-1,2,4-thiadiazol-3-yl)urea?
(5-phenyl-1,2,4-thiadiazol-3-yl)urea has a molecular weight of 220.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2,4-thiadiazol-3-yl)urea is sourced from PubChem (CID 13131314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).