2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole

C13H13N3OS — CID 44362196

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole
SMILESC1CN=C(N1)COC2=CC=CC=C2C3=NC=CS3
InChIInChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15)
InChIKeyWQQMEKYYFTXIEE-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole

2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole (PubChem CID 44362196) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole
PubChem CID44362196
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole
SMILESC1CN=C(N1)COC2=CC=CC=C2C3=NC=CS3
InChIInChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15)
InChIKeyWQQMEKYYFTXIEE-UHFFFAOYSA-N
XLogP1.60
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity311

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-4-methyl-1,3-thiazole
CID 10084685
(2S)-1-(methylamino)-3-[methyl-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382831
(2R)-1-(methylamino)-3-[methyl-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382832
(2S)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382836
(2R)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382837
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177642685
N,N'-dimethyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654760
N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654835
N'-methyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177655824
1-[4-Fluoro-7-(1,3-thiazol-2-YL)-2,3-dihydro-1-benzofuran-2-YL]methanamine
CID 56702368
2-[2-[(2-Methyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole
CID 86804259
2-[2-Piperidin-4-yloxy-5-(trifluoromethyl)phenyl]-1,3-thiazole
CID 135387997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole (CID 44362196) is 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole is C1CN=C(N1)COC2=CC=CC=C2C3=NC=CS3.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole?
The InChIKey is WQQMEKYYFTXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole?
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole has a molecular weight of 259.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 44362196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).