3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol

C14H17BrN2OS — CID 133451582

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol
SMILESCc1nc(NC(C)CC(O)c2cccs2)ccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(8-12(18)13-4-3-7-19-13)16-14-6-5-11(15)10(2)17-14/h3-7,9,12,18H,8H2,1-2H3,(H,16,17)
InChIKeyQWSYIMPMTVAKIA-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.14
Rot. Bonds5

About 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol

3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol (PubChem CID 133451582) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol
PubChem CID133451582
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol
SMILESCc1nc(NC(C)CC(O)c2cccs2)ccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(8-12(18)13-4-3-7-19-13)16-14-6-5-11(15)10(2)17-14/h3-7,9,12,18H,8H2,1-2H3,(H,16,17)
InChIKeyQWSYIMPMTVAKIA-UHFFFAOYSA-N
XLogP4.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
CID 71910995
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 97249768
(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
6-bromo-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 63961100
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
CID 110028148
(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
CID 110026098
2-bromo-1-thiophen-2-ylethanol
CID 22324999
3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
CID 86781542
2-(3-bromo-2-methylanilino)-1-thiophen-2-ylethanol
CID 107633618
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol (CID 133451582) is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol is Cc1nc(NC(C)CC(O)c2cccs2)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol?
The InChIKey is QWSYIMPMTVAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9(8-12(18)13-4-3-7-19-13)16-14-6-5-11(15)10(2)17-14/h3-7,9,12,18H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol?
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol has a molecular weight of 341.27 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 133451582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).