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

C16H22N4O2S — CID 56779115

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C16H22N4O2S/c1-12-7-17-19(8-12)9-13-5-3-4-6-20(13)16(21)14-11-23-15(18-14)10-22-2/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyOIKSHHKIBXWYPZ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.49
Rot. Bonds5

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

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779115) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779115
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C16H22N4O2S/c1-12-7-17-19(8-12)9-13-5-3-4-6-20(13)16(21)14-11-23-15(18-14)10-22-2/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyOIKSHHKIBXWYPZ-UHFFFAOYSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779115) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is COCc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OIKSHHKIBXWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-7-17-19(8-12)9-13-5-3-4-6-20(13)16(21)14-11-23-15(18-14)10-22-2/h7-8,11,13H,3-6,9-10H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 334.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).