2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C13H15N5O3S — CID 132554656

IUPAC2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1ccn[nH]1
InChIInChI=1S/C13H15N5O3S/c19-11(9-1-4-15-17-9)16-8-2-5-18(6-3-8)13-14-7-10(22-13)12(20)21/h1,4,7-8H,2-3,5-6H2,(H,15,17)(H,16,19)(H,20,21)
InChIKeyJVRNZYNULGYMCA-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 132554656) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID132554656
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1ccn[nH]1
InChIInChI=1S/C13H15N5O3S/c19-11(9-1-4-15-17-9)16-8-2-5-18(6-3-8)13-14-7-10(22-13)12(20)21/h1,4,7-8H,2-3,5-6H2,(H,15,17)(H,16,19)(H,20,21)
InChIKeyJVRNZYNULGYMCA-UHFFFAOYSA-N
XLogP0.96
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 132554656) is 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(NC1CCN(c2ncc(C(=O)O)s2)CC1)c1ccn[nH]1.
What is the InChIKey of 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JVRNZYNULGYMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c19-11(9-1-4-15-17-9)16-8-2-5-18(6-3-8)13-14-7-10(22-13)12(20)21/h1,4,7-8H,2-3,5-6H2,(H,15,17)(H,16,19)(H,20,21).
What are the key properties of 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 132554656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).