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

C14H13Cl2N3S2 — CID 43740881

IUPAC5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1cc(C(C)Nc2c(Cl)cc(Cl)c3nsnc23)c(C)s1
InChIInChI=1S/C14H13Cl2N3S2/c1-6-4-9(8(3)20-6)7(2)17-12-10(15)5-11(16)13-14(12)19-21-18-13/h4-5,7,17H,1-3H3
InChIKeyDPICRNPVUKEHMA-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.85
Rot. Bonds3

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

5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740881) has the molecular formula C14H13Cl2N3S2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID43740881
Molecular FormulaC14H13Cl2N3S2
Molecular Weight358.32 g/mol
Exact Mass356.99
IUPAC Name5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
SMILESCc1cc(C(C)Nc2c(Cl)cc(Cl)c3nsnc23)c(C)s1
InChIInChI=1S/C14H13Cl2N3S2/c1-6-4-9(8(3)20-6)7(2)17-12-10(15)5-11(16)13-14(12)19-21-18-13/h4-5,7,17H,1-3H3
InChIKeyDPICRNPVUKEHMA-UHFFFAOYSA-N
XLogP5.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715937
5,7-dichloro-N-(3-methylpentan-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 43740880
5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine
CID 43740882
5,7-dichloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 43740883
5,7-dichloro-N-[(5-methylthiophen-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740886
5,7-dichloro-N-[(5-chlorothiophen-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740889
5,7-dichloro-N-[(4-methylsulfanylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740890
5,7-dichloro-N-(3-methylsulfanylpropyl)-2,1,3-benzothiadiazol-4-amine
CID 43740891
5,7-dichloro-N-(thiolan-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 43740926
5,7-dichloro-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 43740931
5,7-dichloro-N-[(3-methylthiophen-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740938
5,7-dichloro-N-(thiophen-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 43740940

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine (CID 43740881) is 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is Cc1cc(C(C)Nc2c(Cl)cc(Cl)c3nsnc23)c(C)s1.
What is the InChIKey of 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is DPICRNPVUKEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S2/c1-6-4-9(8(3)20-6)7(2)17-12-10(15)5-11(16)13-14(12)19-21-18-13/h4-5,7,17H,1-3H3.
What are the key properties of 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 358.32 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).