3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole

C16H28N4O2S — CID 100743335

IUPAC3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCO[C@@H](C)c1nsc(N2CC[C@H](OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H28N4O2S/c1-13(21-2)15-17-16(23-18-15)20-9-6-14(12-20)22-11-10-19-7-4-3-5-8-19/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyHZUKKOYWHAIONJ-KBPBESRZSA-N
MW340.49 g/mol
LogP2.33
Rot. Bonds7

About 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 100743335) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID100743335
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCO[C@@H](C)c1nsc(N2CC[C@H](OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H28N4O2S/c1-13(21-2)15-17-16(23-18-15)20-9-6-14(12-20)22-11-10-19-7-4-3-5-8-19/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyHZUKKOYWHAIONJ-KBPBESRZSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-5-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493966
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 82701825
3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 99858274
3-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 99858275
3-methyl-5-[4-[2-(3-methylbutoxy)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 71855775
2-(2,4-dimethoxypyrimidin-5-yl)-7-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidine
CID 170606879
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65280695
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133465482
5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole
CID 124875247

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 100743335) is 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole is CO[C@@H](C)c1nsc(N2CC[C@H](OCCN3CCCCC3)C2)n1.
What is the InChIKey of 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is HZUKKOYWHAIONJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13(21-2)15-17-16(23-18-15)20-9-6-14(12-20)22-11-10-19-7-4-3-5-8-19/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 340.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 100743335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).