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

C18H19ClN4OS — CID 92598895

IUPAC2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C18H19ClN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)14-5-7-23(8-6-14)10-13-3-2-4-15(19)9-13/h2-4,9,11,14H,5-8,10H2,1H3
InChIKeyUVLONVAOAIMWNB-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.53
Rot. Bonds4

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

2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598895) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598895
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C18H19ClN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)14-5-7-23(8-6-14)10-13-3-2-4-15(19)9-13/h2-4,9,11,14H,5-8,10H2,1H3
InChIKeyUVLONVAOAIMWNB-UHFFFAOYSA-N
XLogP4.53
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598895) is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is UVLONVAOAIMWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-12-16(25-11-20-12)18-22-21-17(24-18)14-5-7-23(8-6-14)10-13-3-2-4-15(19)9-13/h2-4,9,11,14H,5-8,10H2,1H3.
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 374.90 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).