5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine

C10H17BrN4S — CID 64622644

IUPAC5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(N(C)c2nnc(Br)s2)CC1
InChIInChI=1S/C10H17BrN4S/c1-3-15-6-4-8(5-7-15)14(2)10-13-12-9(11)16-10/h8H,3-7H2,1-2H3
InChIKeyJLBRVZUOQKUAHX-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine

5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64622644) has the molecular formula C10H17BrN4S and a molecular weight of 305.25 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64622644
Molecular FormulaC10H17BrN4S
Molecular Weight305.25 g/mol
Exact Mass304.04
IUPAC Name5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(N(C)c2nnc(Br)s2)CC1
InChIInChI=1S/C10H17BrN4S/c1-3-15-6-4-8(5-7-15)14(2)10-13-12-9(11)16-10/h8H,3-7H2,1-2H3
InChIKeyJLBRVZUOQKUAHX-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 64622644) is 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CCN1CCC(N(C)c2nnc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JLBRVZUOQKUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4S/c1-3-15-6-4-8(5-7-15)14(2)10-13-12-9(11)16-10/h8H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 305.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).