4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol

C13H15BrN2OS — CID 90890139

IUPAC4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc3sc(Br)cc23)CC1
InChIInChI=1S/C13H15BrN2OS/c14-12-7-10-11(18-12)5-6-15-13(10)16-8-1-3-9(17)4-2-8/h5-9,17H,1-4H2,(H,15,16)
InChIKeyUXHSLTBGVDCKKY-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.77
Rot. Bonds2

About 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol

4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol (PubChem CID 90890139) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol
PubChem CID90890139
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc3sc(Br)cc23)CC1
InChIInChI=1S/C13H15BrN2OS/c14-12-7-10-11(18-12)5-6-15-13(10)16-8-1-3-9(17)4-2-8/h5-9,17H,1-4H2,(H,15,16)
InChIKeyUXHSLTBGVDCKKY-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol (CID 90890139) is 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nccc3sc(Br)cc23)CC1.
What is the InChIKey of 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is UXHSLTBGVDCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c14-12-7-10-11(18-12)5-6-15-13(10)16-8-1-3-9(17)4-2-8/h5-9,17H,1-4H2,(H,15,16).
What are the key properties of 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol?
4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 327.25 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromothieno[3,2-c]pyridin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 90890139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).