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

C12H23N3OS — CID 102998002

IUPAC1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(CCCN(C)C)c1nc(C(C)O)cs1
InChIInChI=1S/C12H23N3OS/c1-5-15(8-6-7-14(3)4)12-13-11(9-17-12)10(2)16/h9-10,16H,5-8H2,1-4H3
InChIKeyFRAWOUPMWMUISK-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.97
Rot. Bonds7

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

1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol (PubChem CID 102998002) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
PubChem CID102998002
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(CCCN(C)C)c1nc(C(C)O)cs1
InChIInChI=1S/C12H23N3OS/c1-5-15(8-6-7-14(3)4)12-13-11(9-17-12)10(2)16/h9-10,16H,5-8H2,1-4H3
InChIKeyFRAWOUPMWMUISK-UHFFFAOYSA-N
XLogP1.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol (CID 102998002) is 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol is CCN(CCCN(C)C)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is FRAWOUPMWMUISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-15(8-6-7-14(3)4)12-13-11(9-17-12)10(2)16/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol?
1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 257.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 102998002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).