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

C12H23N3OS — CID 103191902

IUPAC1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(c1nc(C(C)O)cs1)C(C)CN(C)C
InChIInChI=1S/C12H23N3OS/c1-6-15(9(2)7-14(4)5)12-13-11(8-17-12)10(3)16/h8-10,16H,6-7H2,1-5H3
InChIKeyIWVYRZYJRBUEFR-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.97
Rot. Bonds6

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

1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol (PubChem CID 103191902) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol
PubChem CID103191902
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(c1nc(C(C)O)cs1)C(C)CN(C)C
InChIInChI=1S/C12H23N3OS/c1-6-15(9(2)7-14(4)5)12-13-11(8-17-12)10(3)16/h8-10,16H,6-7H2,1-5H3
InChIKeyIWVYRZYJRBUEFR-UHFFFAOYSA-N
XLogP1.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.97
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]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol (CID 103191902) is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol is CCN(c1nc(C(C)O)cs1)C(C)CN(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is IWVYRZYJRBUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-6-15(9(2)7-14(4)5)12-13-11(8-17-12)10(3)16/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol?
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 257.40 g/mol, XLogP of 1.97, 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]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103191902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).