2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C11H11ClN2O2S2 — CID 75392462

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCSC2)C(=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-13-4-7(18-10)5-14-8(15)3-11(9(14)16)1-2-17-6-11/h4H,1-3,5-6H2
InChIKeyCAVKPEYXXWNDCX-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.18
Rot. Bonds2

About 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 75392462) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID75392462
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCSC2)C(=O)N1Cc1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O2S2/c12-10-13-4-7(18-10)5-14-8(15)3-11(9(14)16)1-2-17-6-11/h4H,1-3,5-6H2
InChIKeyCAVKPEYXXWNDCX-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 75392462) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCSC2)C(=O)N1Cc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is CAVKPEYXXWNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-10-13-4-7(18-10)5-14-8(15)3-11(9(14)16)1-2-17-6-11/h4H,1-3,5-6H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 302.81 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 75392462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).