N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C10H18ClN5S — CID 63265603

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1nnsc1Cl
InChIInChI=1S/C10H18ClN5S/c1-15(8-9-10(11)17-14-13-9)6-7-16-4-2-12-3-5-16/h12H,2-8H2,1H3
InChIKeyRCHJBOSSEMYWHB-UHFFFAOYSA-N
MW275.81 g/mol
LogP0.53
Rot. Bonds5

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63265603) has the molecular formula C10H18ClN5S and a molecular weight of 275.81 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63265603
Molecular FormulaC10H18ClN5S
Molecular Weight275.81 g/mol
Exact Mass275.10
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1nnsc1Cl
InChIInChI=1S/C10H18ClN5S/c1-15(8-9-10(11)17-14-13-9)6-7-16-4-2-12-3-5-16/h12H,2-8H2,1H3
InChIKeyRCHJBOSSEMYWHB-UHFFFAOYSA-N
XLogP0.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207534
4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
CID 65209933
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63265394
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916389
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 63265603) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is RCHJBOSSEMYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5S/c1-15(8-9-10(11)17-14-13-9)6-7-16-4-2-12-3-5-16/h12H,2-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 275.81 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63265603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).