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

C16H24N4OS — CID 171914795

IUPAC5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCC(c3nc(C(C)C)no3)CC2)cs1
InChIInChI=1S/C16H24N4OS/c1-11(2)15-18-16(21-19-15)13-4-7-20(8-5-13)9-6-14-10-22-12(3)17-14/h10-11,13H,4-9H2,1-3H3
InChIKeyVFUVHKSUEKBDHY-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.38
Rot. Bonds5

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

5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 171914795) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID171914795
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCC(c3nc(C(C)C)no3)CC2)cs1
InChIInChI=1S/C16H24N4OS/c1-11(2)15-18-16(21-19-15)13-4-7-20(8-5-13)9-6-14-10-22-12(3)17-14/h10-11,13H,4-9H2,1-3H3
InChIKeyVFUVHKSUEKBDHY-UHFFFAOYSA-N
XLogP3.38
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95132649
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
5-(4-methylphenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134706760
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
2-methyl-4-[2-(10-propan-2-yl-3-azaspiro[5.5]undecan-3-yl)ethyl]-1,3-thiazole
CID 155632192
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 106038848
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
1-piperidin-4-yl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 146042226
5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131929981

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 171914795) is 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(CCN2CCC(c3nc(C(C)C)no3)CC2)cs1.
What is the InChIKey of 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VFUVHKSUEKBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11(2)15-18-16(21-19-15)13-4-7-20(8-5-13)9-6-14-10-22-12(3)17-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 320.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 171914795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).