1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol

C12H13BrN2OS — CID 116969230

IUPAC1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESNCC(O)Cc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C12H13BrN2OS/c13-10-4-2-1-3-9(10)11-7-17-12(15-11)5-8(16)6-14/h1-4,7-8,16H,5-6,14H2
InChIKeyUWZBFOSPENVFJG-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.43
Rot. Bonds4

About 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol

1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 116969230) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID116969230
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESNCC(O)Cc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C12H13BrN2OS/c13-10-4-2-1-3-9(10)11-7-17-12(15-11)5-8(16)6-14/h1-4,7-8,16H,5-6,14H2
InChIKeyUWZBFOSPENVFJG-UHFFFAOYSA-N
XLogP2.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol (CID 116969230) is 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol is NCC(O)Cc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is UWZBFOSPENVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c13-10-4-2-1-3-9(10)11-7-17-12(15-11)5-8(16)6-14/h1-4,7-8,16H,5-6,14H2.
What are the key properties of 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol?
1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 313.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 116969230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).