5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole

C11H14ClN5S — CID 95569838

IUPAC5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole
SMILESCn1cc([C@@H]2CCCN2Cc2nnsc2Cl)cn1
InChIInChI=1S/C11H14ClN5S/c1-16-6-8(5-13-16)10-3-2-4-17(10)7-9-11(12)18-15-14-9/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyRHCPTQCFTWMDJX-JTQLQIEISA-N
MW283.79 g/mol
LogP2.26
Rot. Bonds3

About 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole

5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole (PubChem CID 95569838) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole
PubChem CID95569838
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole
SMILESCn1cc([C@@H]2CCCN2Cc2nnsc2Cl)cn1
InChIInChI=1S/C11H14ClN5S/c1-16-6-8(5-13-16)10-3-2-4-17(10)7-9-11(12)18-15-14-9/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyRHCPTQCFTWMDJX-JTQLQIEISA-N
XLogP2.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
3-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766227
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
2-tert-butyl-5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95570899
2-[5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932595
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95338508
1-[(2R)-2-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95336277
5-cyclopropyl-3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569691
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682
2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole (CID 95569838) is 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole is Cn1cc([C@@H]2CCCN2Cc2nnsc2Cl)cn1.
What is the InChIKey of 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole?
The InChIKey is RHCPTQCFTWMDJX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-16-6-8(5-13-16)10-3-2-4-17(10)7-9-11(12)18-15-14-9/h5-6,10H,2-4,7H2,1H3/t10-/m0/s1.
What are the key properties of 5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole?
5-chloro-4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole has a molecular weight of 283.79 g/mol, XLogP of 2.26, 3 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-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 95569838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).