2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol

C9H15ClN2OS — CID 107125864

IUPAC2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-3-9(2,5-11)7(13)8-12-4-6(10)14-8/h4,7,13H,3,5,11H2,1-2H3
InChIKeyWRGCWYLHWBQNDY-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.20
Rot. Bonds4

About 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol (PubChem CID 107125864) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
PubChem CID107125864
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-3-9(2,5-11)7(13)8-12-4-6(10)14-8/h4,7,13H,3,5,11H2,1-2H3
InChIKeyWRGCWYLHWBQNDY-UHFFFAOYSA-N
XLogP2.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol (CID 107125864) is 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ncc(Cl)s1.
What is the InChIKey of 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The InChIKey is WRGCWYLHWBQNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-3-9(2,5-11)7(13)8-12-4-6(10)14-8/h4,7,13H,3,5,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol has a molecular weight of 234.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 107125864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).