1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol

C12H13Cl2N3OS — CID 65473688

IUPAC1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2c(Cl)cc(Cl)c3nsnc23)CCCC1
InChIInChI=1S/C12H13Cl2N3OS/c13-7-5-8(14)10-11(17-19-16-10)9(7)15-6-12(18)3-1-2-4-12/h5,15,18H,1-4,6H2
InChIKeyAECHAVKBJVCZBU-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.72
Rot. Bonds3

About 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65473688) has the molecular formula C12H13Cl2N3OS and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65473688
Molecular FormulaC12H13Cl2N3OS
Molecular Weight318.23 g/mol
Exact Mass317.02
IUPAC Name1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2c(Cl)cc(Cl)c3nsnc23)CCCC1
InChIInChI=1S/C12H13Cl2N3OS/c13-7-5-8(14)10-11(17-19-16-10)9(7)15-6-12(18)3-1-2-4-12/h5,15,18H,1-4,6H2
InChIKeyAECHAVKBJVCZBU-UHFFFAOYSA-N
XLogP3.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol (CID 65473688) is 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol is OC1(CNc2c(Cl)cc(Cl)c3nsnc23)CCCC1.
What is the InChIKey of 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is AECHAVKBJVCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3OS/c13-7-5-8(14)10-11(17-19-16-10)9(7)15-6-12(18)3-1-2-4-12/h5,15,18H,1-4,6H2.
What are the key properties of 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 318.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65473688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).