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

C11H14N6O2S — CID 72914208

IUPAC1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea
SMILESCN(CCc1noc(C2CC2)n1)C(=O)Nc1cnns1
InChIInChI=1S/C11H14N6O2S/c1-17(11(18)14-9-6-12-16-20-9)5-4-8-13-10(19-15-8)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyPURHUIZQQKPGCH-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.50
Rot. Bonds5

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

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea (PubChem CID 72914208) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea
PubChem CID72914208
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea
SMILESCN(CCc1noc(C2CC2)n1)C(=O)Nc1cnns1
InChIInChI=1S/C11H14N6O2S/c1-17(11(18)14-9-6-12-16-20-9)5-4-8-13-10(19-15-8)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18)
InChIKeyPURHUIZQQKPGCH-UHFFFAOYSA-N
XLogP1.50
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
CID 118773141
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-ethylphenyl)-1-methylurea
CID 53055084
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,5-dimethoxyphenyl)-1-methylurea
CID 53055100
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 118783486
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 118781070
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97156039
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50977273
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72877654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea (CID 72914208) is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea is CN(CCc1noc(C2CC2)n1)C(=O)Nc1cnns1.
What is the InChIKey of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea?
The InChIKey is PURHUIZQQKPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-17(11(18)14-9-6-12-16-20-9)5-4-8-13-10(19-15-8)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,18).
What are the key properties of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea?
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea has a molecular weight of 294.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 72914208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).