2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

C10H15BrN2OS — CID 79400140

IUPAC2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c11-9-6-15-10(13-9)12-5-7-3-1-2-4-8(7)14/h6-8,14H,1-5H2,(H,12,13)
InChIKeyWZZFMQFDYDBJLZ-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.87
Rot. Bonds3

About 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79400140) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79400140
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c11-9-6-15-10(13-9)12-5-7-3-1-2-4-8(7)14/h6-8,14H,1-5H2,(H,12,13)
InChIKeyWZZFMQFDYDBJLZ-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 79400140) is 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nc(Br)cs1.
What is the InChIKey of 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WZZFMQFDYDBJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c11-9-6-15-10(13-9)12-5-7-3-1-2-4-8(7)14/h6-8,14H,1-5H2,(H,12,13).
What are the key properties of 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 291.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromo-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79400140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).