1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea

C10H12N6O2S — CID 166244060

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCc1nonc1CNC(=O)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H12N6O2S/c1-5-7(15-18-14-5)4-11-9(17)13-10-12-8(16-19-10)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12,13,16,17)
InChIKeyMQSBTUZKADBLCF-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.43
Rot. Bonds4

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (PubChem CID 166244060) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
PubChem CID166244060
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCc1nonc1CNC(=O)Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H12N6O2S/c1-5-7(15-18-14-5)4-11-9(17)13-10-12-8(16-19-10)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12,13,16,17)
InChIKeyMQSBTUZKADBLCF-UHFFFAOYSA-N
XLogP1.43
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (CID 166244060) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is Cc1nonc1CNC(=O)Nc1nc(C2CC2)ns1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The InChIKey is MQSBTUZKADBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-5-7(15-18-14-5)4-11-9(17)13-10-12-8(16-19-10)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12,13,16,17).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea has a molecular weight of 280.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 166244060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).