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

C12H12BrN3S — CID 65277212

IUPACN-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESBrc1ccccc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H12BrN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeyLRTKOQJKRHQKBF-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.79
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277212) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65277212
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC NameN-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESBrc1ccccc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H12BrN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeyLRTKOQJKRHQKBF-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 79755405
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 166196124
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358213
3-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 104577421
3-cyclopropyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133429570
3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133416956
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65274563
3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129004502
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65277212) is N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is Brc1ccccc1CNc1nc(C2CC2)ns1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LRTKOQJKRHQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c13-10-4-2-1-3-9(10)7-14-12-15-11(16-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 310.22 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).