5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine

C12H13BrN4OS — CID 64624123

IUPAC5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C12H13BrN4OS/c13-11-15-16-12(19-11)14-9-1-3-10(4-2-9)17-5-7-18-8-6-17/h1-4H,5-8H2,(H,14,16)
InChIKeyNQYOLOYXILFJGO-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.88
Rot. Bonds3

About 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64624123) has the molecular formula C12H13BrN4OS and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID64624123
Molecular FormulaC12H13BrN4OS
Molecular Weight341.23 g/mol
Exact Mass340.00
IUPAC Name5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C12H13BrN4OS/c13-11-15-16-12(19-11)14-9-1-3-10(4-2-9)17-5-7-18-8-6-17/h1-4H,5-8H2,(H,14,16)
InChIKeyNQYOLOYXILFJGO-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818
4-morpholin-4-yl-N-phenylaniline
CID 159018746
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731411
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2125020
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-[1-(4-bromothiophen-2-yl)ethyl]-4-morpholin-4-ylaniline
CID 107167664
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine (CID 64624123) is 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NQYOLOYXILFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4OS/c13-11-15-16-12(19-11)14-9-1-3-10(4-2-9)17-5-7-18-8-6-17/h1-4H,5-8H2,(H,14,16).
What are the key properties of 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 341.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).