4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine

C8H12ClN3S2 — CID 115611885

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine
SMILESCC1CN(Cc2nnsc2Cl)CCS1
InChIInChI=1S/C8H12ClN3S2/c1-6-4-12(2-3-13-6)5-7-8(9)14-11-10-7/h6H,2-5H2,1H3
InChIKeyJOVNAICFQFUZFL-UHFFFAOYSA-N
MW249.79 g/mol
LogP2.13
Rot. Bonds2

About 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine

4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine (PubChem CID 115611885) has the molecular formula C8H12ClN3S2 and a molecular weight of 249.79 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine
PubChem CID115611885
Molecular FormulaC8H12ClN3S2
Molecular Weight249.79 g/mol
Exact Mass249.02
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine
SMILESCC1CN(Cc2nnsc2Cl)CCS1
InChIInChI=1S/C8H12ClN3S2/c1-6-4-12(2-3-13-6)5-7-8(9)14-11-10-7/h6H,2-5H2,1H3
InChIKeyJOVNAICFQFUZFL-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
5-Chloro-4-[[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
CID 71864057
N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine
CID 71868827
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
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455
5-Chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
CID 43408474
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylbutan-1-amine
CID 43408559
N-butyl-N-[(5-chlorothiadiazol-4-yl)methyl]butan-1-amine
CID 43408568
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpropan-2-amine
CID 43408618
5-Chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408643

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine (CID 115611885) is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine is CC1CN(Cc2nnsc2Cl)CCS1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine?
The InChIKey is JOVNAICFQFUZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S2/c1-6-4-12(2-3-13-6)5-7-8(9)14-11-10-7/h6H,2-5H2,1H3.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine?
4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine has a molecular weight of 249.79 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-methylthiomorpholine is sourced from PubChem (CID 115611885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).