2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol

C14H27N3OS — CID 62518572

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
SMILESCCN(CC)c1ncc(CNC(CC)(CC)CO)s1
InChIInChI=1S/C14H27N3OS/c1-5-14(6-2,11-18)16-10-12-9-15-13(19-12)17(7-3)8-4/h9,16,18H,5-8,10-11H2,1-4H3
InChIKeyQBJAEHBSNJTMPP-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.63
Rot. Bonds9

About 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol (PubChem CID 62518572) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
PubChem CID62518572
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
SMILESCCN(CC)c1ncc(CNC(CC)(CC)CO)s1
InChIInChI=1S/C14H27N3OS/c1-5-14(6-2,11-18)16-10-12-9-15-13(19-12)17(7-3)8-4/h9,16,18H,5-8,10-11H2,1-4H3
InChIKeyQBJAEHBSNJTMPP-UHFFFAOYSA-N
XLogP2.63
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol (CID 62518572) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol is CCN(CC)c1ncc(CNC(CC)(CC)CO)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol?
The InChIKey is QBJAEHBSNJTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-14(6-2,11-18)16-10-12-9-15-13(19-12)17(7-3)8-4/h9,16,18H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol has a molecular weight of 285.46 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62518572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).