3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol

C6H9BrN2OS — CID 84699873

IUPAC3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
SMILESNC(CCO)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c7-4-3-9-11-6(4)5(8)1-2-10/h3,5,10H,1-2,8H2
InChIKeyIRJMSKMUNKBFIP-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol

3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 84699873) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
PubChem CID84699873
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
SMILESNC(CCO)c1sncc1Br
InChIInChI=1S/C6H9BrN2OS/c7-4-3-9-11-6(4)5(8)1-2-10/h3,5,10H,1-2,8H2
InChIKeyIRJMSKMUNKBFIP-UHFFFAOYSA-N
XLogP1.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-3-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664429
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688090
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699871
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699872
3-Amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 84707375
(3S)-3-amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 165506282
(3R)-3-amino-3-(4-bromo-1,2-thiazol-5-yl)propanoic acid
CID 165508378
3-(4-Bromo-1,2-thiazol-5-yl)propan-1-ol
CID 165600381
2-(4-Bromo-1,2-thiazol-5-yl)ethan-1-ol
CID 165787195

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol (CID 84699873) is 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol is NC(CCO)c1sncc1Br.
What is the InChIKey of 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is IRJMSKMUNKBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c7-4-3-9-11-6(4)5(8)1-2-10/h3,5,10H,1-2,8H2.
What are the key properties of 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol?
3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 237.12 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-bromo-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 84699873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).