5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

C10H9BrFN3S — CID 64623680

IUPAC5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(CCNc2nnc(Br)s2)c1
InChIInChI=1S/C10H9BrFN3S/c11-9-14-15-10(16-9)13-5-4-7-2-1-3-8(12)6-7/h1-3,6H,4-5H2,(H,13,15)
InChIKeyPIZLTRHCZHSTKU-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.09
Rot. Bonds4

About 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64623680) has the molecular formula C10H9BrFN3S and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64623680
Molecular FormulaC10H9BrFN3S
Molecular Weight302.17 g/mol
Exact Mass300.97
IUPAC Name5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(CCNc2nnc(Br)s2)c1
InChIInChI=1S/C10H9BrFN3S/c11-9-14-15-10(16-9)13-5-4-7-2-1-3-8(12)6-7/h1-3,6H,4-5H2,(H,13,15)
InChIKeyPIZLTRHCZHSTKU-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 64622828
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 102831664
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 102831662
N,N'-bis[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]methanediamine
CID 72735470
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448451
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64623680) is 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is Fc1cccc(CCNc2nnc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PIZLTRHCZHSTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3S/c11-9-14-15-10(16-9)13-5-4-7-2-1-3-8(12)6-7/h1-3,6H,4-5H2,(H,13,15).
What are the key properties of 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 302.17 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).