5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole

C12H16ClN5S — CID 95343943

IUPAC5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
SMILESClc1snnc1CN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C12H16ClN5S/c13-12-11(15-16-19-12)9-17-6-2-1-4-10(17)8-18-7-3-5-14-18/h3,5,7,10H,1-2,4,6,8-9H2/t10-/m0/s1
InChIKeyIUIOZBFJGDXQLW-JTQLQIEISA-N
MW297.81 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole

5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole (PubChem CID 95343943) has the molecular formula C12H16ClN5S and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
PubChem CID95343943
Molecular FormulaC12H16ClN5S
Molecular Weight297.81 g/mol
Exact Mass297.08
IUPAC Name5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
SMILESClc1snnc1CN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C12H16ClN5S/c13-12-11(15-16-19-12)9-17-6-2-1-4-10(17)8-18-7-3-5-14-18/h3,5,7,10H,1-2,4,6,8-9H2/t10-/m0/s1
InChIKeyIUIOZBFJGDXQLW-JTQLQIEISA-N
XLogP2.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95338508
5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 95978808
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole (CID 95343943) is 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole is Clc1snnc1CN1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole?
The InChIKey is IUIOZBFJGDXQLW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClN5S/c13-12-11(15-16-19-12)9-17-6-2-1-4-10(17)8-18-7-3-5-14-18/h3,5,7,10H,1-2,4,6,8-9H2/t10-/m0/s1.
What are the key properties of 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole?
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole has a molecular weight of 297.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 95343943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).