2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H20ClN5OS — CID 154920188

IUPAC2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)c1nc(C(=O)NCc2cccn3nccc23)cs1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-10(2)14(17)16-20-12(9-23-16)15(22)18-8-11-4-3-7-21-13(11)5-6-19-21;/h3-7,9-10,14H,8,17H2,1-2H3,(H,18,22);1H/t14-;/m0./s1
InChIKeyISWDVYIIVAZNDT-UQKRIMTDSA-N
MW365.89 g/mol
LogP2.80
Rot. Bonds5

About 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 154920188) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID154920188
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)c1nc(C(=O)NCc2cccn3nccc23)cs1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-10(2)14(17)16-20-12(9-23-16)15(22)18-8-11-4-3-7-21-13(11)5-6-19-21;/h3-7,9-10,14H,8,17H2,1-2H3,(H,18,22);1H/t14-;/m0./s1
InChIKeyISWDVYIIVAZNDT-UQKRIMTDSA-N
XLogP2.80
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 154920188) is 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)[C@H](N)c1nc(C(=O)NCc2cccn3nccc23)cs1.Cl.
What is the InChIKey of 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ISWDVYIIVAZNDT-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H19N5OS.ClH/c1-10(2)14(17)16-20-12(9-23-16)15(22)18-8-11-4-3-7-21-13(11)5-6-19-21;/h3-7,9-10,14H,8,17H2,1-2H3,(H,18,22);1H/t14-;/m0./s1.
What are the key properties of 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methylpropyl]-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154920188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).