(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine

C12H14BrN5S — CID 78938534

IUPAC(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2nnnn2C2CC2)c(Br)c1
InChIInChI=1S/C12H14BrN5S/c1-7(14)8-2-5-11(10(13)6-8)19-12-15-16-17-18(12)9-3-4-9/h2,5-7,9H,3-4,14H2,1H3/t7-/m1/s1
InChIKeyILTLKQXEOGCSEO-SSDOTTSWSA-N
MW340.25 g/mol
LogP2.94
Rot. Bonds4

About (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine

(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine (PubChem CID 78938534) has the molecular formula C12H14BrN5S and a molecular weight of 340.25 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
PubChem CID78938534
Molecular FormulaC12H14BrN5S
Molecular Weight340.25 g/mol
Exact Mass339.02
IUPAC Name(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Sc2nnnn2C2CC2)c(Br)c1
InChIInChI=1S/C12H14BrN5S/c1-7(14)8-2-5-11(10(13)6-8)19-12-15-16-17-18(12)9-3-4-9/h2,5-7,9H,3-4,14H2,1H3/t7-/m1/s1
InChIKeyILTLKQXEOGCSEO-SSDOTTSWSA-N
XLogP2.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021
(1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 55183177
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63818099
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 78951727
(1S)-1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431748
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 82972461
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819127
3-amino-5-bromo-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 79344607
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbenzaldehyde
CID 63803713

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine (CID 78938534) is (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine is C[C@@H](N)c1ccc(Sc2nnnn2C2CC2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The InChIKey is ILTLKQXEOGCSEO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14BrN5S/c1-7(14)8-2-5-11(10(13)6-8)19-12-15-16-17-18(12)9-3-4-9/h2,5-7,9H,3-4,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine?
(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine has a molecular weight of 340.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 78938534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).