N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine

C10H10BrN3S — CID 166178300

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESC[C@H](Nc1ncns1)c1ccccc1Br
InChIInChI=1S/C10H10BrN3S/c1-7(14-10-12-6-13-15-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14)/t7-/m0/s1
InChIKeyYTJPTLBSHOAJEU-ZETCQYMHSA-N
MW284.18 g/mol
LogP3.47
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine

N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 166178300) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID166178300
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESC[C@H](Nc1ncns1)c1ccccc1Br
InChIInChI=1S/C10H10BrN3S/c1-7(14-10-12-6-13-15-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14)/t7-/m0/s1
InChIKeyYTJPTLBSHOAJEU-ZETCQYMHSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 166178300) is N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine is C[C@H](Nc1ncns1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YTJPTLBSHOAJEU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-7(14-10-12-6-13-15-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 284.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 166178300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).