5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol

C10H17ClN2O2S — CID 107200937

IUPAC5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H17ClN2O2S/c1-13(5-3-2-4-6-14)10-12-9(11)8(7-15)16-10/h14-15H,2-7H2,1H3
InChIKeyUOQJZMPLPSXMJX-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.89
Rot. Bonds7

About 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol

5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol (PubChem CID 107200937) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
PubChem CID107200937
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H17ClN2O2S/c1-13(5-3-2-4-6-14)10-12-9(11)8(7-15)16-10/h14-15H,2-7H2,1H3
InChIKeyUOQJZMPLPSXMJX-UHFFFAOYSA-N
XLogP1.89
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-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

4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 80687939
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
CID 107203400
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80693436
[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392570
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol
CID 107197781
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80692696
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 80692698
[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778344

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol (CID 107200937) is 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol is CN(CCCCCO)c1nc(Cl)c(CO)s1.
What is the InChIKey of 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol?
The InChIKey is UOQJZMPLPSXMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S/c1-13(5-3-2-4-6-14)10-12-9(11)8(7-15)16-10/h14-15H,2-7H2,1H3.
What are the key properties of 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol?
5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol has a molecular weight of 264.78 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107200937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).