5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine

C14H10ClN5S — CID 65474052

IUPAC5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NCc1cnn2ccccc12
InChIInChI=1S/C14H10ClN5S/c15-10-4-5-11-14(19-21-18-11)13(10)16-7-9-8-17-20-6-2-1-3-12(9)20/h1-6,8,16H,7H2
InChIKeyTUIUEMCBZKRPSZ-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.60
Rot. Bonds3

About 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65474052) has the molecular formula C14H10ClN5S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65474052
Molecular FormulaC14H10ClN5S
Molecular Weight315.79 g/mol
Exact Mass315.03
IUPAC Name5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1ccc2nsnc2c1NCc1cnn2ccccc12
InChIInChI=1S/C14H10ClN5S/c15-10-4-5-11-14(19-21-18-11)13(10)16-7-9-8-17-20-6-2-1-3-12(9)20/h1-6,8,16H,7H2
InChIKeyTUIUEMCBZKRPSZ-UHFFFAOYSA-N
XLogP3.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine (CID 65474052) is 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine is Clc1ccc2nsnc2c1NCc1cnn2ccccc12.
What is the InChIKey of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is TUIUEMCBZKRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S/c15-10-4-5-11-14(19-21-18-11)13(10)16-7-9-8-17-20-6-2-1-3-12(9)20/h1-6,8,16H,7H2.
What are the key properties of 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 315.79 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65474052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).