actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide

C7H11AcN2S- — CID 22975262

IUPACactinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide
SMILESCC(C)(C)c1csc([NH-])n1.[Ac]
InChIInChI=1S/C7H11N2S.Ac/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H-,8,9);/q-1;
InChIKeyJVAFANGKSJJCIR-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.12
Rot. Bonds

About actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide

actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide (PubChem CID 22975262) has the molecular formula C7H11AcN2S- and a molecular weight of 382.25 g/mol. Its IUPAC name is actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Nameactinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide
PubChem CID22975262
Molecular FormulaC7H11AcN2S-
Molecular Weight382.25 g/mol
Exact Mass382.09
IUPAC Nameactinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide
SMILESCC(C)(C)c1csc([NH-])n1.[Ac]
InChIInChI=1S/C7H11N2S.Ac/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H-,8,9);/q-1;
InChIKeyJVAFANGKSJJCIR-UHFFFAOYSA-N
XLogP3.12
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide?
The IUPAC name of actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide (CID 22975262) is actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide.
What is the SMILES notation for actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide?
The canonical SMILES for actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide is CC(C)(C)c1csc([NH-])n1.[Ac].
What is the InChIKey of actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide?
The InChIKey is JVAFANGKSJJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2S.Ac/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H-,8,9);/q-1;.
What are the key properties of actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide?
actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide has a molecular weight of 382.25 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(4-tert-butyl-1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 22975262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).