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

C6H9BrN2OS — CID 126737645

IUPAC(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol
SMILESC[C@@](N)(CO)c1nc(Br)cs1
InChIInChI=1S/C6H9BrN2OS/c1-6(8,3-10)5-9-4(7)2-11-5/h2,10H,3,8H2,1H3/t6-/m1/s1
InChIKeySPEDLHDJPYWYEA-ZCFIWIBFSA-N
MW237.12 g/mol
LogP1.07
Rot. Bonds2

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

(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol (PubChem CID 126737645) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol
PubChem CID126737645
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol
SMILESC[C@@](N)(CO)c1nc(Br)cs1
InChIInChI=1S/C6H9BrN2OS/c1-6(8,3-10)5-9-4(7)2-11-5/h2,10H,3,8H2,1H3/t6-/m1/s1
InChIKeySPEDLHDJPYWYEA-ZCFIWIBFSA-N
XLogP1.07
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol (CID 126737645) is (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol is C[C@@](N)(CO)c1nc(Br)cs1.
What is the InChIKey of (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is SPEDLHDJPYWYEA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-6(8,3-10)5-9-4(7)2-11-5/h2,10H,3,8H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol?
(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 237.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 126737645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).