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

C14H17N5O3S — CID 132554662

IUPAC2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1ccn[nH]1)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C14H17N5O3S/c1-18(12(20)10-2-5-16-17-10)9-3-6-19(7-4-9)14-15-8-11(23-14)13(21)22/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17)(H,21,22)
InChIKeyJNNNTOLXZDCPAW-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 132554662) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID132554662
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1ccn[nH]1)C1CCN(c2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C14H17N5O3S/c1-18(12(20)10-2-5-16-17-10)9-3-6-19(7-4-9)14-15-8-11(23-14)13(21)22/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17)(H,21,22)
InChIKeyJNNNTOLXZDCPAW-UHFFFAOYSA-N
XLogP1.31
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 132554662) is 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is CN(C(=O)c1ccn[nH]1)C1CCN(c2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JNNNTOLXZDCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-18(12(20)10-2-5-16-17-10)9-3-6-19(7-4-9)14-15-8-11(23-14)13(21)22/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17)(H,21,22).
What are the key properties of 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(1H-pyrazole-5-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 132554662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).