potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate

C14H12ClKN2S2 — CID 159653077

IUPACpotassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
SMILESC[S-].Nc1nc(-c2cccc3ccccc23)c(Cl)s1.[K+]
InChIInChI=1S/C13H9ClN2S.CH4S.K/c14-12-11(16-13(15)17-12)10-7-3-5-8-4-1-2-6-9(8)10;1-2;/h1-7H,(H2,15,16);2H,1H3;/q;;+1/p-1
InChIKeyMRVAQBUZEHOZOY-UHFFFAOYSA-M
MW346.95 g/mol
LogP1.37
Rot. Bonds1

About potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate

potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate (PubChem CID 159653077) has the molecular formula C14H12ClKN2S2 and a molecular weight of 346.95 g/mol. Its IUPAC name is potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate.

Molecular Properties

Compound Namepotassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
PubChem CID159653077
Molecular FormulaC14H12ClKN2S2
Molecular Weight346.95 g/mol
Exact Mass345.98
IUPAC Namepotassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
SMILESC[S-].Nc1nc(-c2cccc3ccccc23)c(Cl)s1.[K+]
InChIInChI=1S/C13H9ClN2S.CH4S.K/c14-12-11(16-13(15)17-12)10-7-3-5-8-4-1-2-6-9(8)10;1-2;/h1-7H,(H2,15,16);2H,1H3;/q;;+1/p-1
InChIKeyMRVAQBUZEHOZOY-UHFFFAOYSA-M
XLogP1.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.95
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate?
The IUPAC name of potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate (CID 159653077) is potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate.
What is the SMILES notation for potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate?
The canonical SMILES for potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate is C[S-].Nc1nc(-c2cccc3ccccc23)c(Cl)s1.[K+].
What is the InChIKey of potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate?
The InChIKey is MRVAQBUZEHOZOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9ClN2S.CH4S.K/c14-12-11(16-13(15)17-12)10-7-3-5-8-4-1-2-6-9(8)10;1-2;/h1-7H,(H2,15,16);2H,1H3;/q;;+1/p-1.
What are the key properties of potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate?
potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate has a molecular weight of 346.95 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate is sourced from PubChem (CID 159653077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).