N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C13H12ClN5OS — CID 58386025

IUPACN-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNCCNC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C13H12ClN5OS/c14-11-10(18-13(21-11)12(20)16-5-4-15)8-7-17-19-6-2-1-3-9(8)19/h1-3,6-7H,4-5,15H2,(H,16,20)
InChIKeyOYERQJUKNIWWRM-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.80
Rot. Bonds4

About N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 58386025) has the molecular formula C13H12ClN5OS and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID58386025
Molecular FormulaC13H12ClN5OS
Molecular Weight321.79 g/mol
Exact Mass321.05
IUPAC NameN-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNCCNC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1
InChIInChI=1S/C13H12ClN5OS/c14-11-10(18-13(21-11)12(20)16-5-4-15)8-7-17-19-6-2-1-3-9(8)19/h1-3,6-7H,4-5,15H2,(H,16,20)
InChIKeyOYERQJUKNIWWRM-UHFFFAOYSA-N
XLogP1.80
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 58386025) is N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NCCNC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is OYERQJUKNIWWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5OS/c14-11-10(18-13(21-11)12(20)16-5-4-15)8-7-17-19-6-2-1-3-9(8)19/h1-3,6-7H,4-5,15H2,(H,16,20).
What are the key properties of N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 58386025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).