N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C17H19N7OS — CID 56764961

IUPACN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-8-16(26-22-12)21-17(25)13-4-2-6-23(10-13)14-9-15(19-11-18-14)24-7-3-5-20-24/h3,5,7-9,11,13H,2,4,6,10H2,1H3,(H,21,25)
InChIKeyDHXPUGVYRZYYMI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.28
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 56764961) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID56764961
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)sn1
InChIInChI=1S/C17H19N7OS/c1-12-8-16(26-22-12)21-17(25)13-4-2-6-23(10-13)14-9-15(19-11-18-14)24-7-3-5-20-24/h3,5,7-9,11,13H,2,4,6,10H2,1H3,(H,21,25)
InChIKeyDHXPUGVYRZYYMI-UHFFFAOYSA-N
XLogP2.28
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(thiazol-2-yl)piperidine-3-carboxamide
CID 56724699
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 71810848
N-(3-methyl-5-isothiazolyl)-(S)-1-[6-(1H-1,2,4-triazol-1-yl)-3-pyridazinyl]-3-piperidinecarboxamide
CID 97428830
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 52907587
(3R)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907670
(3S)-N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907671
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 52993002
1-(6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 56764913
1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 71810934
N-(1,5-dimethyl-1H-pyrazol-3-yl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 86207044
1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)-N-(3-methylisothiazol-5-yl)piperidine-3-carboxamide
CID 90514873
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-methylisothiazol-5-yl)piperidine-4-carboxamide
CID 90520395

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 56764961) is N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DHXPUGVYRZYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-8-16(26-22-12)21-17(25)13-4-2-6-23(10-13)14-9-15(19-11-18-14)24-7-3-5-20-24/h3,5,7-9,11,13H,2,4,6,10H2,1H3,(H,21,25).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).