5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C12H16N4OS — CID 143331174

IUPAC5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc([C@H]3CCCN(C)C3)n2)s1
InChIInChI=1S/C12H16N4OS/c1-8-13-6-10(18-8)11-14-12(17-15-11)9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyKDEIGALMDZYASL-VIFPVBQESA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds2

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

5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 143331174) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID143331174
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2noc([C@H]3CCCN(C)C3)n2)s1
InChIInChI=1S/C12H16N4OS/c1-8-13-6-10(18-8)11-14-12(17-15-11)9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyKDEIGALMDZYASL-VIFPVBQESA-N
XLogP2.31
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
5-[chloro(difluoro)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 165392196
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
1-imidazo[1,2-a]pyridin-3-yloxy-2-[2-methyl-5-[5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]hydrazine
CID 139515203
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbaldehyde
CID 165487009
(3-methylphenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457328

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 143331174) is 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is Cc1ncc(-c2noc([C@H]3CCCN(C)C3)n2)s1.
What is the InChIKey of 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KDEIGALMDZYASL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-13-6-10(18-8)11-14-12(17-15-11)9-4-3-5-16(2)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 143331174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).