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

C14H18N4OS — CID 95824418

IUPAC(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(Cc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS/c1-17-6-4-12(16-17)14(19)18-7-2-11(3-8-18)10-13-15-5-9-20-13/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyXEOCIVWXCYYXLM-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.97
Rot. Bonds3

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

(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95824418) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID95824418
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(Cc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS/c1-17-6-4-12(16-17)14(19)18-7-2-11(3-8-18)10-13-15-5-9-20-13/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyXEOCIVWXCYYXLM-UHFFFAOYSA-N
XLogP1.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124978300
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 127245007
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1H-pyrrolo[3,2-b]pyridin-3-yl-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 136557542

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 95824418) is (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is Cn1ccc(C(=O)N2CCC(Cc3nccs3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is XEOCIVWXCYYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-17-6-4-12(16-17)14(19)18-7-2-11(3-8-18)10-13-15-5-9-20-13/h4-6,9,11H,2-3,7-8,10H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 290.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).