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

C15H12N4OS — CID 10803880

IUPAC1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H12N4OS/c20-14(16-12-9-5-2-6-10-12)18-15-17-13(19-21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20)
InChIKeyHQUROWSOVPCBLR-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.85
Rot. Bonds3

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

1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 10803880) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID10803880
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H12N4OS/c20-14(16-12-9-5-2-6-10-12)18-15-17-13(19-21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20)
InChIKeyHQUROWSOVPCBLR-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076895
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 99804569
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-N-propan-2-ylbutanamide
CID 91643650
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 97023354
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
1-phenyl-3-(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 102116941
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 10803880) is 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is HQUROWSOVPCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(16-12-9-5-2-6-10-12)18-15-17-13(19-21-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20).
What are the key properties of 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 296.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 10803880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).