5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine

C11H11ClN4S2 — CID 65475497

IUPAC5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)CSC(Nc2c(Cl)ccc3nsnc23)=N1
InChIInChI=1S/C11H11ClN4S2/c1-11(2)5-17-10(14-11)13-8-6(12)3-4-7-9(8)16-18-15-7/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeySHQOXOPLRGFTNF-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.64
Rot. Bonds1

About 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65475497) has the molecular formula C11H11ClN4S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65475497
Molecular FormulaC11H11ClN4S2
Molecular Weight298.82 g/mol
Exact Mass298.01
IUPAC Name5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)CSC(Nc2c(Cl)ccc3nsnc23)=N1
InChIInChI=1S/C11H11ClN4S2/c1-11(2)5-17-10(14-11)13-8-6(12)3-4-7-9(8)16-18-15-7/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeySHQOXOPLRGFTNF-UHFFFAOYSA-N
XLogP3.64
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

5-chloro-N-(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475691
5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65451949
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine
CID 79856538
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
1-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,6-difluorobenzene-1,4-diamine
CID 65475234
5-chloro-N-(3,6-dichloro-1,2,4-triazin-5-yl)-2,1,3-benzothiadiazol-4-amine
CID 81036789
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylpyrimidine-4,6-diamine
CID 80941681
3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
CID 102758727
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-N-ethylpyrazine-2,6-diamine
CID 80842096
4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrimidine-2,4-diamine
CID 80843558

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 65475497) is 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine is CC1(C)CSC(Nc2c(Cl)ccc3nsnc23)=N1.
What is the InChIKey of 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is SHQOXOPLRGFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S2/c1-11(2)5-17-10(14-11)13-8-6(12)3-4-7-9(8)16-18-15-7/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 298.82 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65475497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).