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

C9H15BrN4S — CID 114505705

IUPAC5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CN(C)CCC1Nc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4S/c1-6-5-14(2)4-3-7(6)11-9-13-12-8(10)15-9/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyQZBJBYPUJCNSEK-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.05
Rot. Bonds2

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

5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 114505705) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID114505705
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CN(C)CCC1Nc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4S/c1-6-5-14(2)4-3-7(6)11-9-13-12-8(10)15-9/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyQZBJBYPUJCNSEK-UHFFFAOYSA-N
XLogP2.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 114504855
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
N-(1,3-dimethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114505060
1,3-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)piperidin-4-amine
CID 114503474
5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 64622641
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993
N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115601370
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]cyclopentan-1-ol
CID 130991530
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114504757
2-bromo-4-[(1,3-dimethylpiperidin-4-yl)amino]benzenecarbothioamide
CID 107278148

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 114505705) is 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CC1CN(C)CCC1Nc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QZBJBYPUJCNSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-6-5-14(2)4-3-7(6)11-9-13-12-8(10)15-9/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 291.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114505705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).