5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol

C9H16N2OS — CID 107302916

IUPAC5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1nccs1
InChIInChI=1S/C9H16N2OS/c12-6-3-1-2-4-10-8-9-11-5-7-13-9/h5,7,10,12H,1-4,6,8H2
InChIKeyXRXHMSNEHANUIY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.40
Rot. Bonds7

About 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol

5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol (PubChem CID 107302916) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
PubChem CID107302916
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1nccs1
InChIInChI=1S/C9H16N2OS/c12-6-3-1-2-4-10-8-9-11-5-7-13-9/h5,7,10,12H,1-4,6,8H2
InChIKeyXRXHMSNEHANUIY-UHFFFAOYSA-N
XLogP1.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1,3-thiazol-2-ylmethylamino)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

6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 103897626
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
CID 79533036
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol (CID 107302916) is 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol is OCCCCCNCc1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
The InChIKey is XRXHMSNEHANUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-6-3-1-2-4-10-8-9-11-5-7-13-9/h5,7,10,12H,1-4,6,8H2.
What are the key properties of 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol?
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 107302916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).