3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol

C10H18N2OS — CID 82102705

IUPAC3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCc1nc(CCNCCCO)sc1C
InChIInChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)4-6-11-5-3-7-13/h11,13H,3-7H2,1-2H3
InChIKeyMVXDLSNITPCMEZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.27
Rot. Bonds6

About 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol

3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol (PubChem CID 82102705) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
PubChem CID82102705
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCc1nc(CCNCCCO)sc1C
InChIInChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)4-6-11-5-3-7-13/h11,13H,3-7H2,1-2H3
InChIKeyMVXDLSNITPCMEZ-UHFFFAOYSA-N
XLogP1.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.27
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 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol (CID 82102705) is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol is Cc1nc(CCNCCCO)sc1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is MVXDLSNITPCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)4-6-11-5-3-7-13/h11,13H,3-7H2,1-2H3.
What are the key properties of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 82102705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).