5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

C12H10Cl2N4S2 — CID 65473503

IUPAC5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ncsc1CCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H10Cl2N4S2/c1-6-9(19-5-16-6)2-3-15-10-7(13)4-8(14)11-12(10)18-20-17-11/h4-5,15H,2-3H2,1H3
InChIKeyZAOIWFHVXWMOJC-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.42
Rot. Bonds4

About 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 65473503) has the molecular formula C12H10Cl2N4S2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID65473503
Molecular FormulaC12H10Cl2N4S2
Molecular Weight345.28 g/mol
Exact Mass343.97
IUPAC Name5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1ncsc1CCNc1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C12H10Cl2N4S2/c1-6-9(19-5-16-6)2-3-15-10-7(13)4-8(14)11-12(10)18-20-17-11/h4-5,15H,2-3H2,1H3
InChIKeyZAOIWFHVXWMOJC-UHFFFAOYSA-N
XLogP4.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473320
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
5,7-dichloro-N-[2-(2-methylimidazol-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474863
N-but-2-ynyl-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 65473505
5,7-dichloro-N-[(4-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740915
5-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2,2-dimethylpentanenitrile
CID 65473689
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929
2-[2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethoxy]ethanol
CID 65474474
5,7-dichloro-N-[2-(3-methylbutoxy)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65474670
5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 65476221

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (CID 65473503) is 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is Cc1ncsc1CCNc1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is ZAOIWFHVXWMOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4S2/c1-6-9(19-5-16-6)2-3-15-10-7(13)4-8(14)11-12(10)18-20-17-11/h4-5,15H,2-3H2,1H3.
What are the key properties of 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 345.28 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65473503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).