bis(4-methyl-1,3-benzothiazol-2-yl)diazene

C16H12N4S2 — CID 154148255

IUPACbis(4-methyl-1,3-benzothiazol-2-yl)diazene
SMILESCc1cccc2sc(N=Nc3nc4c(C)cccc4s3)nc12
InChIInChI=1S/C16H12N4S2/c1-9-5-3-7-11-13(9)17-15(21-11)19-20-16-18-14-10(2)6-4-8-12(14)22-16/h3-8H,1-2H3
InChIKeyMJRCBSINNBWQDU-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.94
Rot. Bonds2

About bis(4-methyl-1,3-benzothiazol-2-yl)diazene

bis(4-methyl-1,3-benzothiazol-2-yl)diazene (PubChem CID 154148255) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is bis(4-methyl-1,3-benzothiazol-2-yl)diazene.

Molecular Properties

Compound Namebis(4-methyl-1,3-benzothiazol-2-yl)diazene
PubChem CID154148255
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC Namebis(4-methyl-1,3-benzothiazol-2-yl)diazene
SMILESCc1cccc2sc(N=Nc3nc4c(C)cccc4s3)nc12
InChIInChI=1S/C16H12N4S2/c1-9-5-3-7-11-13(9)17-15(21-11)19-20-16-18-14-10(2)6-4-8-12(14)22-16/h3-8H,1-2H3
InChIKeyMJRCBSINNBWQDU-UHFFFAOYSA-N
XLogP5.94
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 71385419
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
(4-methyl-1,3-benzothiazol-2-yl) acetate
CID 21327492
2-(1-chloroethyl)-4-methyl-1,3-benzothiazole
CID 79022387
2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
CID 83384612
2-[2-[N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,5-dimethoxy-4-[(4-methyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethoxy]ethanol
CID 170192286
4-methyl-2-nitro-1,3-benzothiazole
CID 119093125
1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79146195
2-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 45077657
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79146362
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-1,3-benzothiazol-2-yl)diazene?
The IUPAC name of bis(4-methyl-1,3-benzothiazol-2-yl)diazene (CID 154148255) is bis(4-methyl-1,3-benzothiazol-2-yl)diazene.
What is the SMILES notation for bis(4-methyl-1,3-benzothiazol-2-yl)diazene?
The canonical SMILES for bis(4-methyl-1,3-benzothiazol-2-yl)diazene is Cc1cccc2sc(N=Nc3nc4c(C)cccc4s3)nc12.
What is the InChIKey of bis(4-methyl-1,3-benzothiazol-2-yl)diazene?
The InChIKey is MJRCBSINNBWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-9-5-3-7-11-13(9)17-15(21-11)19-20-16-18-14-10(2)6-4-8-12(14)22-16/h3-8H,1-2H3.
What are the key properties of bis(4-methyl-1,3-benzothiazol-2-yl)diazene?
bis(4-methyl-1,3-benzothiazol-2-yl)diazene has a molecular weight of 324.43 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-1,3-benzothiazol-2-yl)diazene is sourced from PubChem (CID 154148255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).