N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

C13H14N4S2 — CID 55024478

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NCc3nccn3C)cc2s1
InChIInChI=1S/C13H14N4S2/c1-17-6-5-14-12(17)8-15-9-3-4-10-11(7-9)19-13(16-10)18-2/h3-7,15H,8H2,1-2H3
InChIKeyIPUMFNYJUXWYST-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.36
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 55024478) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID55024478
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NCc3nccn3C)cc2s1
InChIInChI=1S/C13H14N4S2/c1-17-6-5-14-12(17)8-15-9-3-4-10-11(7-9)19-13(16-10)18-2/h3-7,15H,8H2,1-2H3
InChIKeyIPUMFNYJUXWYST-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 55024478) is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is CSc1nc2ccc(NCc3nccn3C)cc2s1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is IPUMFNYJUXWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-17-6-5-14-12(17)8-15-9-3-4-10-11(7-9)19-13(16-10)18-2/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 290.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 55024478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).