3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol

C9H15ClN2OS — CID 83152314

IUPAC3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(Cl)cs1
InChIInChI=1S/C9H15ClN2OS/c1-2-7(3-4-13)5-11-9-12-8(10)6-14-9/h6-7,13H,2-5H2,1H3,(H,11,12)
InChIKeyAIWXWIWLARURNJ-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.62
Rot. Bonds6

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

3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol (PubChem CID 83152314) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol
PubChem CID83152314
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(Cl)cs1
InChIInChI=1S/C9H15ClN2OS/c1-2-7(3-4-13)5-11-9-12-8(10)6-14-9/h6-7,13H,2-5H2,1H3,(H,11,12)
InChIKeyAIWXWIWLARURNJ-UHFFFAOYSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol (CID 83152314) is 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(Cl)cs1.
What is the InChIKey of 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol?
The InChIKey is AIWXWIWLARURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-2-7(3-4-13)5-11-9-12-8(10)6-14-9/h6-7,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol?
3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol has a molecular weight of 234.75 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 83152314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).