2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

C13H18N4S — CID 110114192

IUPAC2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C13H18N4S/c1-13(12-14-6-9-18-12)3-7-17(8-4-13)10-11-2-5-15-16-11/h2,5-6,9H,3-4,7-8,10H2,1H3,(H,15,16)
InChIKeyTYWZWSFEBUZXNW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.42
Rot. Bonds3

About 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 110114192) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID110114192
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCC1(c2nccs2)CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C13H18N4S/c1-13(12-14-6-9-18-12)3-7-17(8-4-13)10-11-2-5-15-16-11/h2,5-6,9H,3-4,7-8,10H2,1H3,(H,15,16)
InChIKeyTYWZWSFEBUZXNW-UHFFFAOYSA-N
XLogP2.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 110114192) is 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is CC1(c2nccs2)CCN(Cc2ccn[nH]2)CC1.
What is the InChIKey of 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is TYWZWSFEBUZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(12-14-6-9-18-12)3-7-17(8-4-13)10-11-2-5-15-16-11/h2,5-6,9H,3-4,7-8,10H2,1H3,(H,15,16).
What are the key properties of 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110114192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).