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

C12H11BrFN3S — CID 65271474

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Br)c(CNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H11BrFN3S/c13-10-4-3-9(14)5-8(10)6-15-12-16-11(17-18-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16,17)
InChIKeyMIZSAMZWDQYJHW-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.93
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271474) has the molecular formula C12H11BrFN3S and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65271474
Molecular FormulaC12H11BrFN3S
Molecular Weight328.21 g/mol
Exact Mass326.98
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Br)c(CNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H11BrFN3S/c13-10-4-3-9(14)5-8(10)6-15-12-16-11(17-18-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16,17)
InChIKeyMIZSAMZWDQYJHW-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277212
5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106193577
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55154443
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 104577421
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274563
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 166196124
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65271474) is N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is Fc1ccc(Br)c(CNc2nc(C3CC3)ns2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MIZSAMZWDQYJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3S/c13-10-4-3-9(14)5-8(10)6-15-12-16-11(17-18-12)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16,17).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 328.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).