[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

C16H22N4O2S — CID 95978658

IUPAC[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@H](n3nc(C)cc3C)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-11-7-12(2)20(18-11)13-5-4-6-19(8-13)16(21)14-10-23-15(17-14)9-22-3/h7,10,13H,4-6,8-9H2,1-3H3/t13-/m0/s1
InChIKeyWAXFAIDTGFGBHS-ZDUSSCGKSA-N
MW334.45 g/mol
LogP2.58
Rot. Bonds4

About [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 95978658) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID95978658
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@H](n3nc(C)cc3C)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-11-7-12(2)20(18-11)13-5-4-6-19(8-13)16(21)14-10-23-15(17-14)9-22-3/h7,10,13H,4-6,8-9H2,1-3H3/t13-/m0/s1
InChIKeyWAXFAIDTGFGBHS-ZDUSSCGKSA-N
XLogP2.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95342023
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97339722
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
[3-(4-ethylphenyl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 136544722
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 96500660
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (CID 95978658) is [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is COCc1nc(C(=O)N2CCC[C@H](n3nc(C)cc3C)C2)cs1.
What is the InChIKey of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is WAXFAIDTGFGBHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-7-12(2)20(18-11)13-5-4-6-19(8-13)16(21)14-10-23-15(17-14)9-22-3/h7,10,13H,4-6,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 334.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 95978658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).