2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole

C16H17N3O2S — CID 166193350

IUPAC2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole
SMILESCOC(C)c1nc(COc2ccccc2-n2cccn2)cs1
InChIInChI=1S/C16H17N3O2S/c1-12(20-2)16-18-13(11-22-16)10-21-15-7-4-3-6-14(15)19-9-5-8-17-19/h3-9,11-12H,10H2,1-2H3
InChIKeyCFUDMCCBTFTCHH-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.62
Rot. Bonds6

About 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole

2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 166193350) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole
PubChem CID166193350
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole
SMILESCOC(C)c1nc(COc2ccccc2-n2cccn2)cs1
InChIInChI=1S/C16H17N3O2S/c1-12(20-2)16-18-13(11-22-16)10-21-15-7-4-3-6-14(15)19-9-5-8-17-19/h3-9,11-12H,10H2,1-2H3
InChIKeyCFUDMCCBTFTCHH-UHFFFAOYSA-N
XLogP3.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 75463922
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 72140802
US9617282, Example 6
CID 86299284
US9617282, Example 72
CID 118636236
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53522722
N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-2-pyrazol-1-ylethanamine
CID 53532105
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53558759
1-(4-methylpyrazol-1-yl)-N-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 53573311
2-(4-methylpyrazol-1-yl)-N-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 53616944
2-(4-methylpyrazol-1-yl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 53617003
2-(4-methylpyrazol-1-yl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 56780245
1-[5-[2-[(3-Chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one
CID 2744236

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole (CID 166193350) is 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole is COC(C)c1nc(COc2ccccc2-n2cccn2)cs1.
What is the InChIKey of 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is CFUDMCCBTFTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12(20-2)16-18-13(11-22-16)10-21-15-7-4-3-6-14(15)19-9-5-8-17-19/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole?
2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole has a molecular weight of 315.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-[(2-pyrazol-1-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 166193350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).