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

C10H9FN4OS2 — CID 3765876

IUPAC1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCSc1nsc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4OS2/c1-17-10-14-9(18-15-10)13-8(16)12-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeySJQSVYBWDBDDMU-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.04
Rot. Bonds3

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

1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 3765876) has the molecular formula C10H9FN4OS2 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID3765876
Molecular FormulaC10H9FN4OS2
Molecular Weight284.34 g/mol
Exact Mass284.02
IUPAC Name1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCSc1nsc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C10H9FN4OS2/c1-17-10-14-9(18-15-10)13-8(16)12-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeySJQSVYBWDBDDMU-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3671778
3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 894653
1-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 3671790
1-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(4-chlorophenyl)urea
CID 46249565
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea
CID 121082501
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16949036
1-(3-tert-butylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(3-methoxyphenyl)urea
CID 24746846
N-(4-acetamidophenyl)-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16823373
(2S)-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 7587032
1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 71968790
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 3765876) is 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is CSc1nsc(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is SJQSVYBWDBDDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS2/c1-17-10-14-9(18-15-10)13-8(16)12-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,13,14,15,16).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 284.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 3765876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).