3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C11H13ClN4O2S — CID 80609773

IUPAC3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1nnc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S/c12-9-15-14-7(19-9)6-16-8(17)11(13-10(16)18)4-2-1-3-5-11/h1-6H2,(H,13,18)
InChIKeyBBIDOUILRKUGAM-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.95
Rot. Bonds2

About 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 80609773) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID80609773
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1nnc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S/c12-9-15-14-7(19-9)6-16-8(17)11(13-10(16)18)4-2-1-3-5-11/h1-6H2,(H,13,18)
InChIKeyBBIDOUILRKUGAM-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 80609773) is 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1Cc1nnc(Cl)s1.
What is the InChIKey of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BBIDOUILRKUGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c12-9-15-14-7(19-9)6-16-8(17)11(13-10(16)18)4-2-1-3-5-11/h1-6H2,(H,13,18).
What are the key properties of 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 300.77 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 80609773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).