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

C10H17ClN4S — CID 80606646

IUPAC1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H17ClN4S/c1-12-6-8-2-4-15(5-3-8)7-9-13-14-10(11)16-9/h8,12H,2-7H2,1H3
InChIKeyBWKYAGVKFUYZBY-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.62
Rot. Bonds4

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

1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 80606646) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID80606646
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H17ClN4S/c1-12-6-8-2-4-15(5-3-8)7-9-13-14-10(11)16-9/h8,12H,2-7H2,1H3
InChIKeyBWKYAGVKFUYZBY-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-methylmethanamine?
The IUPAC name of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 80606646) is 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2nnc(Cl)s2)CC1.
What is the InChIKey of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is BWKYAGVKFUYZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-12-6-8-2-4-15(5-3-8)7-9-13-14-10(11)16-9/h8,12H,2-7H2,1H3.
What are the key properties of 1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 260.79 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 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-methylmethanamine is sourced from PubChem (CID 80606646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).