5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole

C18H26N4OS — CID 92554129

IUPAC5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2snnc2[C@H]2CCCN(CC3CCCCC3)C2)on1
InChIInChI=1S/C18H26N4OS/c1-13-10-16(23-20-13)18-17(19-21-24-18)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h10,14-15H,2-9,11-12H2,1H3/t15-/m0/s1
InChIKeyAWSPLLFRFPXNRZ-HNNXBMFYSA-N
MW346.50 g/mol
LogP4.26
Rot. Bonds4

About 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole

5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole (PubChem CID 92554129) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
PubChem CID92554129
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2snnc2[C@H]2CCCN(CC3CCCCC3)C2)on1
InChIInChI=1S/C18H26N4OS/c1-13-10-16(23-20-13)18-17(19-21-24-18)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h10,14-15H,2-9,11-12H2,1H3/t15-/m0/s1
InChIKeyAWSPLLFRFPXNRZ-HNNXBMFYSA-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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Related Compounds

3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 110237198
5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95856201
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237190
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
CID 92554125
5-[4-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670063
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 110242578
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole (CID 92554129) is 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2snnc2[C@H]2CCCN(CC3CCCCC3)C2)on1.
What is the InChIKey of 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is AWSPLLFRFPXNRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-10-16(23-20-13)18-17(19-21-24-18)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h10,14-15H,2-9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole?
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole 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 5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 92554129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).