5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol

C13H24N2OS — CID 103897555

IUPAC5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1nc(CNCC(C)(C)CCCO)cs1
InChIInChI=1S/C13H24N2OS/c1-4-12-15-11(9-17-12)8-14-10-13(2,3)6-5-7-16/h9,14,16H,4-8,10H2,1-3H3
InChIKeyPUOMZRSWIMWUPX-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.59
Rot. Bonds8

About 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol

5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897555) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897555
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1nc(CNCC(C)(C)CCCO)cs1
InChIInChI=1S/C13H24N2OS/c1-4-12-15-11(9-17-12)8-14-10-13(2,3)6-5-7-16/h9,14,16H,4-8,10H2,1-3H3
InChIKeyPUOMZRSWIMWUPX-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897555) is 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol is CCc1nc(CNCC(C)(C)CCCO)cs1.
What is the InChIKey of 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is PUOMZRSWIMWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-12-15-11(9-17-12)8-14-10-13(2,3)6-5-7-16/h9,14,16H,4-8,10H2,1-3H3.
What are the key properties of 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).