1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine

C11H19ClN4S — CID 80609968

IUPAC1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C11H19ClN4S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3
InChIKeyQMDBHNCXOVWICW-UHFFFAOYSA-N
MW274.82 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 80609968) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID80609968
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C11H19ClN4S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3
InChIKeyQMDBHNCXOVWICW-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 80609968) is 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(Cc2nnc(Cl)s2)CC1.
What is the InChIKey of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is QMDBHNCXOVWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-15(2)7-9-3-5-16(6-4-9)8-10-13-14-11(12)17-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 274.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 80609968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).