5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole

C11H14ClN5S — CID 95338508

IUPAC5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
SMILESClc1snnc1CN1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C11H14ClN5S/c12-11-10(14-15-18-11)8-16-5-1-3-9(16)7-17-6-2-4-13-17/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1
InChIKeySNIPOAWBLCSPEZ-SECBINFHSA-N
MW283.79 g/mol
LogP2.05
Rot. Bonds4

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

5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole (PubChem CID 95338508) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
PubChem CID95338508
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
SMILESClc1snnc1CN1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C11H14ClN5S/c12-11-10(14-15-18-11)8-16-5-1-3-9(16)7-17-6-2-4-13-17/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1
InChIKeySNIPOAWBLCSPEZ-SECBINFHSA-N
XLogP2.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.05
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-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 95978808
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
1-phenyl-4-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]triazole
CID 95609459
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
methyl (E)-3-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoate
CID 58183044
(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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole (CID 95338508) is 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole is Clc1snnc1CN1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole?
The InChIKey is SNIPOAWBLCSPEZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClN5S/c12-11-10(14-15-18-11)8-16-5-1-3-9(16)7-17-6-2-4-13-17/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1.
What are the key properties of 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole?
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole has a molecular weight of 283.79 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 95338508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).