6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine

C13H11N5OS2 — CID 108776569

IUPAC6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc4scc(C)n4n3)sc2c1
InChIInChI=1S/C13H11N5OS2/c1-7-6-20-13-16-11(17-18(7)13)15-12-14-9-4-3-8(19-2)5-10(9)21-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeyRXPYGXMHUUQHFB-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.46
Rot. Bonds3

About 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine

6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 108776569) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID108776569
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC Name6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3nc4scc(C)n4n3)sc2c1
InChIInChI=1S/C13H11N5OS2/c1-7-6-20-13-16-11(17-18(7)13)15-12-14-9-4-3-8(19-2)5-10(9)21-12/h3-6H,1-2H3,(H,14,15,17)
InChIKeyRXPYGXMHUUQHFB-UHFFFAOYSA-N
XLogP3.46
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-ethyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-benzothiazol-2-amine
CID 108772566
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (CID 108776569) is 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3nc4scc(C)n4n3)sc2c1.
What is the InChIKey of 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is RXPYGXMHUUQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c1-7-6-20-13-16-11(17-18(7)13)15-12-14-9-4-3-8(19-2)5-10(9)21-12/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 317.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108776569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).