6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol

C12H22N2OS — CID 115654661

IUPAC6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
SMILESCCc1nc(CNCCCC(O)CC)cs1
InChIInChI=1S/C12H22N2OS/c1-3-11(15)6-5-7-13-8-10-9-16-12(4-2)14-10/h9,11,13,15H,3-8H2,1-2H3
InChIKeyGYACWAQRIFAPKQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.35
Rot. Bonds8

About 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol

6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol (PubChem CID 115654661) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
PubChem CID115654661
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
SMILESCCc1nc(CNCCCC(O)CC)cs1
InChIInChI=1S/C12H22N2OS/c1-3-11(15)6-5-7-13-8-10-9-16-12(4-2)14-10/h9,11,13,15H,3-8H2,1-2H3
InChIKeyGYACWAQRIFAPKQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol?
The IUPAC name of 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol (CID 115654661) is 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol.
What is the SMILES notation for 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol?
The canonical SMILES for 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol is CCc1nc(CNCCCC(O)CC)cs1.
What is the InChIKey of 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol?
The InChIKey is GYACWAQRIFAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-11(15)6-5-7-13-8-10-9-16-12(4-2)14-10/h9,11,13,15H,3-8H2,1-2H3.
What are the key properties of 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol?
6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol has a molecular weight of 242.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol is sourced from PubChem (CID 115654661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).