1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

C12H14BrNOS2 — CID 111449551

IUPAC1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNCc1csc(Br)c1)c1ccsc1
InChIInChI=1S/C12H14BrNOS2/c1-12(15,10-2-3-16-7-10)8-14-5-9-4-11(13)17-6-9/h2-4,6-7,14-15H,5,8H2,1H3
InChIKeyOSABUNXHNHQNQS-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.57
Rot. Bonds5

About 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol

1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 111449551) has the molecular formula C12H14BrNOS2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID111449551
Molecular FormulaC12H14BrNOS2
Molecular Weight332.29 g/mol
Exact Mass330.97
IUPAC Name1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(O)(CNCc1csc(Br)c1)c1ccsc1
InChIInChI=1S/C12H14BrNOS2/c1-12(15,10-2-3-16-7-10)8-14-5-9-4-11(13)17-6-9/h2-4,6-7,14-15H,5,8H2,1H3
InChIKeyOSABUNXHNHQNQS-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-2-methoxybenzonitrile
CID 111467213
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449502
N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 43432019
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111862118
2-[[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methyl]-6-methoxyphenol
CID 111449494
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
4-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]phenol
CID 61238208
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449517

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol (CID 111449551) is 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is CC(O)(CNCc1csc(Br)c1)c1ccsc1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is OSABUNXHNHQNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS2/c1-12(15,10-2-3-16-7-10)8-14-5-9-4-11(13)17-6-9/h2-4,6-7,14-15H,5,8H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol?
1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 332.29 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111449551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).