5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine

C13H16ClN3S — CID 79856538

IUPAC5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)CCCC1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C13H16ClN3S/c1-13(2)7-3-4-10(13)15-11-8(14)5-6-9-12(11)17-18-16-9/h5-6,10,15H,3-4,7H2,1-2H3
InChIKeyRVPCRVOXQCQRSH-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 79856538) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID79856538
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine
SMILESCC1(C)CCCC1Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C13H16ClN3S/c1-13(2)7-3-4-10(13)15-11-8(14)5-6-9-12(11)17-18-16-9/h5-6,10,15H,3-4,7H2,1-2H3
InChIKeyRVPCRVOXQCQRSH-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine (CID 79856538) is 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine is CC1(C)CCCC1Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is RVPCRVOXQCQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-13(2)7-3-4-10(13)15-11-8(14)5-6-9-12(11)17-18-16-9/h5-6,10,15H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 281.81 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylcyclopentyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 79856538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).