1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C18H21N7OS — CID 56724699

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)Nc4nccs4)C3)ncn2)n1
InChIInChI=1S/C18H21N7OS/c1-12-8-13(2)25(23-12)16-9-15(20-11-21-16)24-6-3-4-14(10-24)17(26)22-18-19-5-7-27-18/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H,19,22,26)
InChIKeyQONIUHUCMMZZLR-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.59
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 56724699) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID56724699
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)Nc4nccs4)C3)ncn2)n1
InChIInChI=1S/C18H21N7OS/c1-12-8-13(2)25(23-12)16-9-15(20-11-21-16)24-6-3-4-14(10-24)17(26)22-18-19-5-7-27-18/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H,19,22,26)
InChIKeyQONIUHUCMMZZLR-UHFFFAOYSA-N
XLogP2.59
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768413
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768407
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 3168354
1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 42654945
N-[5-[[4-(2-pyrazolo[1,5-a]pyrimidin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377657
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 52993004
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 56764961
N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415558
N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415600
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(5-methylthiazol-2-yl)piperidine-3-carboxamide
CID 72719828
1-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171337725
1-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171997901

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 56724699) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCCC(C(=O)Nc4nccs4)C3)ncn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QONIUHUCMMZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-12-8-13(2)25(23-12)16-9-15(20-11-21-16)24-6-3-4-14(10-24)17(26)22-18-19-5-7-27-18/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H,19,22,26).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56724699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).