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

C11H20N2OS — CID 71986447

IUPAC3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol
SMILESCc1nc(C(C)(C)NCCCO)sc1C
InChIInChI=1S/C11H20N2OS/c1-8-9(2)15-10(13-8)11(3,4)12-6-5-7-14/h12,14H,5-7H2,1-4H3
InChIKeyJTLFRAORTJOMOL-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.97
Rot. Bonds5

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

3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol (PubChem CID 71986447) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol
PubChem CID71986447
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol
SMILESCc1nc(C(C)(C)NCCCO)sc1C
InChIInChI=1S/C11H20N2OS/c1-8-9(2)15-10(13-8)11(3,4)12-6-5-7-14/h12,14H,5-7H2,1-4H3
InChIKeyJTLFRAORTJOMOL-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.97
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)propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol (CID 71986447) is 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol is Cc1nc(C(C)(C)NCCCO)sc1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol?
The InChIKey is JTLFRAORTJOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-9(2)15-10(13-8)11(3,4)12-6-5-7-14/h12,14H,5-7H2,1-4H3.
What are the key properties of 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol?
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.97, 5 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)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 71986447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).