6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol

C12H22N2OS — CID 103738697

IUPAC6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
SMILESCC(C)(NCCCCCCO)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-12(2,11-13-8-10-16-11)14-7-5-3-4-6-9-15/h8,10,14-15H,3-7,9H2,1-2H3
InChIKeyRQVXFVWNWGNASH-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.52
Rot. Bonds8

About 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol

6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol (PubChem CID 103738697) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
PubChem CID103738697
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
SMILESCC(C)(NCCCCCCO)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-12(2,11-13-8-10-16-11)14-7-5-3-4-6-9-15/h8,10,14-15H,3-7,9H2,1-2H3
InChIKeyRQVXFVWNWGNASH-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 71986823
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103738822
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103864793
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132023
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990
12-(tert-butylamino)dodecan-1-ol
CID 159274393
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzene-1,2,3-triol
CID 103953465

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol?
The IUPAC name of 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol (CID 103738697) is 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol.
What is the SMILES notation for 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol?
The canonical SMILES for 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol is CC(C)(NCCCCCCO)c1nccs1.
What is the InChIKey of 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol?
The InChIKey is RQVXFVWNWGNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(2,11-13-8-10-16-11)14-7-5-3-4-6-9-15/h8,10,14-15H,3-7,9H2,1-2H3.
What are the key properties of 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol?
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol is sourced from PubChem (CID 103738697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).