3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol

C13H15BrN2OS — CID 133403078

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol
SMILESCc1cc(NC(CCO)c2cccs2)ncc1Br
InChIInChI=1S/C13H15BrN2OS/c1-9-7-13(15-8-10(9)14)16-11(4-5-17)12-3-2-6-18-12/h2-3,6-8,11,17H,4-5H2,1H3,(H,15,16)
InChIKeyHAIGLSHTZZTTJX-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.75
Rot. Bonds5

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol (PubChem CID 133403078) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol
PubChem CID133403078
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol
SMILESCc1cc(NC(CCO)c2cccs2)ncc1Br
InChIInChI=1S/C13H15BrN2OS/c1-9-7-13(15-8-10(9)14)16-11(4-5-17)12-3-2-6-18-12/h2-3,6-8,11,17H,4-5H2,1H3,(H,15,16)
InChIKeyHAIGLSHTZZTTJX-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 99776461
3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol
CID 133370432
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
(3R)-3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-thiophen-2-ylpropan-1-ol
CID 95981455
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol (CID 133403078) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol is Cc1cc(NC(CCO)c2cccs2)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is HAIGLSHTZZTTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-9-7-13(15-8-10(9)14)16-11(4-5-17)12-3-2-6-18-12/h2-3,6-8,11,17H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 327.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 133403078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).