2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol

C16H22N2OS — CID 110921349

IUPAC2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C16H22N2OS/c1-3-9-18(10-11-19)12-15-13(2)17-16(20-15)14-7-5-4-6-8-14/h4-8,19H,3,9-12H2,1-2H3
InChIKeyCKTQIBCFCYIDIV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.32
Rot. Bonds7

About 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol

2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol (PubChem CID 110921349) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol
PubChem CID110921349
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C16H22N2OS/c1-3-9-18(10-11-19)12-15-13(2)17-16(20-15)14-7-5-4-6-8-14/h4-8,19H,3,9-12H2,1-2H3
InChIKeyCKTQIBCFCYIDIV-UHFFFAOYSA-N
XLogP3.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
CID 51254106
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
1-ethyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-propylguanidine
CID 111227453
5-ethyl-2-phenyl-1,3-thiazol-4-ol
CID 13484654
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
1-ethyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-prop-2-ynylguanidine
CID 111849852
5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
CID 121121685

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol (CID 110921349) is 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1sc(-c2ccccc2)nc1C.
What is the InChIKey of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol?
The InChIKey is CKTQIBCFCYIDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-9-18(10-11-19)12-15-13(2)17-16(20-15)14-7-5-4-6-8-14/h4-8,19H,3,9-12H2,1-2H3.
What are the key properties of 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol?
2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 110921349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).