N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H20N8OS — CID 56967892

IUPACN-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnc(N2CCC(N)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1
InChIInChI=1S/C17H20N8OS/c18-11-1-3-25(4-2-11)15-13(5-12(19)8-20-15)23-16(26)14-9-27-17(24-14)10-6-21-22-7-10/h5-9,11H,1-4,18-19H2,(H,21,22)(H,23,26)
InChIKeyQRESUKKBWPKYFC-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.69
Rot. Bonds4

About N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56967892) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56967892
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnc(N2CCC(N)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1
InChIInChI=1S/C17H20N8OS/c18-11-1-3-25(4-2-11)15-13(5-12(19)8-20-15)23-16(26)14-9-27-17(24-14)10-6-21-22-7-10/h5-9,11H,1-4,18-19H2,(H,21,22)(H,23,26)
InChIKeyQRESUKKBWPKYFC-UHFFFAOYSA-N
XLogP1.69
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967832
N-[5-amino-2-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 57334916
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
N-[1-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129927
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-[2-[4-(aminomethyl)cyclohexen-1-yl]-4-fluorophenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 54591449
N-[1-cyclobutyl-3-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 145176661

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56967892) is N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Nc1cnc(N2CCC(N)CC2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)c1.
What is the InChIKey of N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QRESUKKBWPKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c18-11-1-3-25(4-2-11)15-13(5-12(19)8-20-15)23-16(26)14-9-27-17(24-14)10-6-21-22-7-10/h5-9,11H,1-4,18-19H2,(H,21,22)(H,23,26).
What are the key properties of N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56967892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).