5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole

C9H14ClN3S — CID 43408643

IUPAC5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C9H14ClN3S/c1-7-4-2-3-5-13(7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3
InChIKeyULFCFALXUMIMCU-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.57
Rot. Bonds2

About 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 43408643) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
PubChem CID43408643
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C9H14ClN3S/c1-7-4-2-3-5-13(7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3
InChIKeyULFCFALXUMIMCU-UHFFFAOYSA-N
XLogP2.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
5-Chloro-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 45798715
5-Chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 52367106
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
5-Chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 65538925
5-chloro-4-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 93606600
5-chloro-4-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]thiadiazole
CID 93606601
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-4,4-difluoropiperidine
CID 164657131
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
CID 31690140
4-(Azepan-1-ylmethyl)-5-chlorothiadiazole
CID 43408454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole (CID 43408643) is 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole is CC1CCCCN1Cc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is ULFCFALXUMIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7-4-2-3-5-13(7)6-8-9(10)14-12-11-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 231.75 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43408643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).