1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one

C10H13N5OS — CID 80583272

IUPAC1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyIHDKXPQTZZHWKP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.93
Rot. Bonds4

About 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one

1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (PubChem CID 80583272) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
PubChem CID80583272
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyIHDKXPQTZZHWKP-UHFFFAOYSA-N
XLogP0.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (CID 80583272) is 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is CNc1snnc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The InChIKey is IHDKXPQTZZHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-11-9-8(12-13-17-9)6-14-4-5-15(10(14)16)7-2-3-7/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80583272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).