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

C10H10N4OS2 — CID 1235107

IUPAC1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea
SMILESCSc1nsc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C10H10N4OS2/c1-16-10-13-9(17-14-10)12-8(15)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyKDKQLKFPVNTJIE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.90
Rot. Bonds3

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

1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea (PubChem CID 1235107) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea
PubChem CID1235107
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea
SMILESCSc1nsc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C10H10N4OS2/c1-16-10-13-9(17-14-10)12-8(15)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyKDKQLKFPVNTJIE-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 4990240
N-(2-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 4225961
N-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
CID 5300482
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-fluoro-phenyl)-urea
CID 3765921
1-(4-Iodophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155521343
1-(4-Iodophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155523616
1-(4-Iodophenyl)-3-[5-(prop-2-enylamino)-1,2,4-thiadiazol-3-yl]urea
CID 155533878
1-(4-Bromophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155535018
1-(4-Bromophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155551374
N-(4-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1855756
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-fluoro-phenyl)-urea
CID 3765920
1-(2,4-Difluoro-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 3765924

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea (CID 1235107) is 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea is CSc1nsc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea?
The InChIKey is KDKQLKFPVNTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-16-10-13-9(17-14-10)12-8(15)11-7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15).
What are the key properties of 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea?
1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea has a molecular weight of 266.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3-phenylurea is sourced from PubChem (CID 1235107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).