1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol

C19H20N2OS — CID 130160087

IUPAC1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H20N2OS/c1-15(22)18-14-23-19(20-18)21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15,22H,12-13H2,1H3
InChIKeyDBCPGPIZVKRZFQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.40
Rot. Bonds6

About 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol

1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol (PubChem CID 130160087) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol
PubChem CID130160087
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H20N2OS/c1-15(22)18-14-23-19(20-18)21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15,22H,12-13H2,1H3
InChIKeyDBCPGPIZVKRZFQ-UHFFFAOYSA-N
XLogP4.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544603
2-[2-(N-benzylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 13002671
1-[2-[ethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544599
1-[2-(N,4-dimethylanilino)-1,3-thiazol-4-yl]ethanol
CID 64543596
1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
CID 102998002
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
N-benzyl-N-(2-bromoethyl)-4-methyl-1,3-thiazol-2-amine
CID 80674189
1-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64543792
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
CID 112666407
2-[[4-[[benzyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid
CID 23849178
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol (CID 130160087) is 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(N(Cc2ccccc2)Cc2ccccc2)n1.
What is the InChIKey of 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol?
The InChIKey is DBCPGPIZVKRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(22)18-14-23-19(20-18)21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15,22H,12-13H2,1H3.
What are the key properties of 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol?
1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol has a molecular weight of 324.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 130160087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).