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

C10H15N5OS — CID 80583088

IUPAC1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nnsc2NC)c1=O
InChIInChI=1S/C10H15N5OS/c1-3-4-14-5-6-15(10(14)16)7-8-9(11-2)17-13-12-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyOBKRAKYAAVRFTJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.00
Rot. Bonds5

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

1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one (PubChem CID 80583088) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one
PubChem CID80583088
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nnsc2NC)c1=O
InChIInChI=1S/C10H15N5OS/c1-3-4-14-5-6-15(10(14)16)7-8-9(11-2)17-13-12-8/h5-6,11H,3-4,7H2,1-2H3
InChIKeyOBKRAKYAAVRFTJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one (CID 80583088) is 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2nnsc2NC)c1=O.
What is the InChIKey of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one?
The InChIKey is OBKRAKYAAVRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-4-14-5-6-15(10(14)16)7-8-9(11-2)17-13-12-8/h5-6,11H,3-4,7H2,1-2H3.
What are the key properties of 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one?
1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one has a molecular weight of 253.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80583088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).