1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol

C13H25N3OS — CID 103191898

IUPAC1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN(c1nc(C)c(C(C)O)s1)C(C)CN(C)C
InChIInChI=1S/C13H25N3OS/c1-7-16(9(2)8-15(5)6)13-14-10(3)12(18-13)11(4)17/h9,11,17H,7-8H2,1-6H3
InChIKeyAFJXCOFFZJIQCW-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 103191898) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID103191898
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN(c1nc(C)c(C(C)O)s1)C(C)CN(C)C
InChIInChI=1S/C13H25N3OS/c1-7-16(9(2)8-15(5)6)13-14-10(3)12(18-13)11(4)17/h9,11,17H,7-8H2,1-6H3
InChIKeyAFJXCOFFZJIQCW-UHFFFAOYSA-N
XLogP2.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 103191898) is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol is CCN(c1nc(C)c(C(C)O)s1)C(C)CN(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is AFJXCOFFZJIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-7-16(9(2)8-15(5)6)13-14-10(3)12(18-13)11(4)17/h9,11,17H,7-8H2,1-6H3.
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 271.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 103191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).