2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H26N4OS — CID 92598888

IUPAC2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(CC3CCCCC3)CC2)o1
InChIInChI=1S/C18H26N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3
InChIKeyYPOSTMXOKPVTSK-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598888) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598888
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(CC3CCCCC3)CC2)o1
InChIInChI=1S/C18H26N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3
InChIKeyYPOSTMXOKPVTSK-UHFFFAOYSA-N
XLogP4.26
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598888) is 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc(C2CCN(CC3CCCCC3)CC2)o1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is YPOSTMXOKPVTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-16(24-12-19-13)18-21-20-17(23-18)15-7-9-22(10-8-15)11-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 346.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).