4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol

C13H24N2O2S — CID 114163592

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)11-9-18-12(15-11)7-14-6-5-10(16)8-17-4/h9-10,14,16H,5-8H2,1-4H3
InChIKeyYONQOAUBQBWIIB-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.93
Rot. Bonds7

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol

4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol (PubChem CID 114163592) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
PubChem CID114163592
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)11-9-18-12(15-11)7-14-6-5-10(16)8-17-4/h9-10,14,16H,5-8H2,1-4H3
InChIKeyYONQOAUBQBWIIB-UHFFFAOYSA-N
XLogP1.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol (CID 114163592) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol is COCC(O)CCNCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol?
The InChIKey is YONQOAUBQBWIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-13(2,3)11-9-18-12(15-11)7-14-6-5-10(16)8-17-4/h9-10,14,16H,5-8H2,1-4H3.
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol?
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 114163592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).