2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol

C7H11BrN2OS — CID 116942398

IUPAC2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESNC(CO)C(N)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2OS/c8-4-1-6(12-3-4)7(10)5(9)2-11/h1,3,5,7,11H,2,9-10H2
InChIKeyGYIHGQBVFHWADQ-UHFFFAOYSA-N
MW251.15 g/mol
LogP0.83
Rot. Bonds3

About 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol

2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol (PubChem CID 116942398) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
PubChem CID116942398
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
SMILESNC(CO)C(N)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2OS/c8-4-1-6(12-3-4)7(10)5(9)2-11/h1,3,5,7,11H,2,9-10H2
InChIKeyGYIHGQBVFHWADQ-UHFFFAOYSA-N
XLogP0.83
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol 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

(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanenitrile
CID 116946358
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
3-[2-amino-1-(4-bromothiophen-2-yl)butyl]sulfanyl-2-methylpropan-1-ol
CID 66103542
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
3-[2-amino-1-(4-bromothiophen-2-yl)propyl]sulfanyl-2-methylpropan-1-ol
CID 66103320
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
methyl 2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanoate
CID 116946092

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol?
The IUPAC name of 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol (CID 116942398) is 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol is NC(CO)C(N)c1cc(Br)cs1.
What is the InChIKey of 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol?
The InChIKey is GYIHGQBVFHWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c8-4-1-6(12-3-4)7(10)5(9)2-11/h1,3,5,7,11H,2,9-10H2.
What are the key properties of 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol?
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol has a molecular weight of 251.15 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 116942398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).