N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H20N8OS — CID 56967895

IUPACN-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1ccc(N2CCC[C@@H](N)C2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)n1
InChIInChI=1S/C17H20N8OS/c18-11-2-1-5-25(8-11)13-3-4-14(19)23-15(13)24-16(26)12-9-27-17(22-12)10-6-20-21-7-10/h3-4,6-7,9,11H,1-2,5,8,18H2,(H,20,21)(H3,19,23,24,26)/t11-/m1/s1
InChIKeyWWABDNDTTNHKDL-LLVKDONJSA-N
MW384.47 g/mol
LogP1.69
Rot. Bonds4

About N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56967895) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56967895
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNc1ccc(N2CCC[C@@H](N)C2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)n1
InChIInChI=1S/C17H20N8OS/c18-11-2-1-5-25(8-11)13-3-4-14(19)23-15(13)24-16(26)12-9-27-17(22-12)10-6-20-21-7-10/h3-4,6-7,9,11H,1-2,5,8,18H2,(H,20,21)(H3,19,23,24,26)/t11-/m1/s1
InChIKeyWWABDNDTTNHKDL-LLVKDONJSA-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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Launch Full Analysis

Related Compounds

N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 67514837
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967832
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965
N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175010825
2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 67515702
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
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

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56967895) is N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Nc1ccc(N2CCC[C@@H](N)C2)c(NC(=O)c2csc(-c3cn[nH]c3)n2)n1.
What is the InChIKey of N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WWABDNDTTNHKDL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N8OS/c18-11-2-1-5-25(8-11)13-3-4-14(19)23-15(13)24-16(26)12-9-27-17(22-12)10-6-20-21-7-10/h3-4,6-7,9,11H,1-2,5,8,18H2,(H,20,21)(H3,19,23,24,26)/t11-/m1/s1.
What are the key properties of N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-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-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56967895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).