[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C17H24N4O2S — CID 56788126

IUPAC[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)11-23-14-4-6-21(7-5-14)17(22)15-9-18-16(24-15)13-8-19-20(3)10-13/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyJAJLDDAQCKRFJP-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.82
Rot. Bonds5

About [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 56788126) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
PubChem CID56788126
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)11-23-14-4-6-21(7-5-14)17(22)15-9-18-16(24-15)13-8-19-20(3)10-13/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyJAJLDDAQCKRFJP-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127764086
[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127310888
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 124684814
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120806956
(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 136567893
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 96503107
[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
(6-bromo-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 75399829
N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111447555
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 119663063

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 56788126) is [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is CC(C)COC1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC1.
What is the InChIKey of [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JAJLDDAQCKRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)11-23-14-4-6-21(7-5-14)17(22)15-9-18-16(24-15)13-8-19-20(3)10-13/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 348.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 56788126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).