N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H19N7OS — CID 56967893

IUPACN-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2cnccc2NC(=O)c2csc(-c3cn[nH]c3)n2)C1
InChIInChI=1S/C17H19N7OS/c18-12-2-1-5-24(9-12)15-8-19-4-3-13(15)22-16(25)14-10-26-17(23-14)11-6-20-21-7-11/h3-4,6-8,10,12H,1-2,5,9,18H2,(H,20,21)(H,19,22,25)/t12-/m1/s1
InChIKeyFMXUBTMVWIYWPC-GFCCVEGCSA-N
MW369.45 g/mol
LogP2.11
Rot. Bonds4

About N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56967893) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56967893
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2cnccc2NC(=O)c2csc(-c3cn[nH]c3)n2)C1
InChIInChI=1S/C17H19N7OS/c18-12-2-1-5-24(9-12)15-8-19-4-3-13(15)22-16(25)14-10-26-17(23-14)11-6-20-21-7-11/h3-4,6-8,10,12H,1-2,5,9,18H2,(H,20,21)(H,19,22,25)/t12-/m1/s1
InChIKeyFMXUBTMVWIYWPC-GFCCVEGCSA-N
XLogP2.11
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56967893) is N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is N[C@@H]1CCCN(c2cnccc2NC(=O)c2csc(-c3cn[nH]c3)n2)C1.
What is the InChIKey of N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FMXUBTMVWIYWPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N7OS/c18-12-2-1-5-24(9-12)15-8-19-4-3-13(15)22-16(25)14-10-26-17(23-14)11-6-20-21-7-11/h3-4,6-8,10,12H,1-2,5,9,18H2,(H,20,21)(H,19,22,25)/t12-/m1/s1.
What are the key properties of N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56967893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).