3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione

C12H13ClN4O2S — CID 75419600

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C12H13ClN4O2S/c13-9-8(15-16-20-9)5-17-10(18)12(6-1-2-6,7-3-4-7)14-11(17)19/h6-7H,1-5H2,(H,14,19)
InChIKeyUMABOPIEGJBGQN-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.80
Rot. Bonds4

About 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione

3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione (PubChem CID 75419600) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
PubChem CID75419600
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C12H13ClN4O2S/c13-9-8(15-16-20-9)5-17-10(18)12(6-1-2-6,7-3-4-7)14-11(17)19/h6-7H,1-5H2,(H,14,19)
InChIKeyUMABOPIEGJBGQN-UHFFFAOYSA-N
XLogP1.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.80
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-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione (CID 75419600) is 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione is O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nnsc1Cl.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
The InChIKey is UMABOPIEGJBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c13-9-8(15-16-20-9)5-17-10(18)12(6-1-2-6,7-3-4-7)14-11(17)19/h6-7H,1-5H2,(H,14,19).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione has a molecular weight of 312.78 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 75419600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).