2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol

C13H24N2OS — CID 79254041

IUPAC2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2OS/c1-9(2)11(8-16)14-6-10-7-15-12(17-10)13(3,4)5/h7,9,11,14,16H,6,8H2,1-5H3
InChIKeyDCZLBAFZHYIRJT-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 79254041) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
PubChem CID79254041
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2OS/c1-9(2)11(8-16)14-6-10-7-15-12(17-10)13(3,4)5/h7,9,11,14,16H,6,8H2,1-5H3
InChIKeyDCZLBAFZHYIRJT-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol (CID 79254041) is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol is CC(C)C(CO)NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is DCZLBAFZHYIRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)11(8-16)14-6-10-7-15-12(17-10)13(3,4)5/h7,9,11,14,16H,6,8H2,1-5H3.
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).