4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole

C17H17N3O2S — CID 136571987

IUPAC4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESc1ccc(-c2cnn(-c3cscn3)c2)c(OCC2CCOC2)c1
InChIInChI=1S/C17H17N3O2S/c1-2-4-16(22-10-13-5-6-21-9-13)15(3-1)14-7-19-20(8-14)17-11-23-12-18-17/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyMOVMUKIUWJLEQM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.41
Rot. Bonds5

About 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole

4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole (PubChem CID 136571987) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
PubChem CID136571987
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
SMILESc1ccc(-c2cnn(-c3cscn3)c2)c(OCC2CCOC2)c1
InChIInChI=1S/C17H17N3O2S/c1-2-4-16(22-10-13-5-6-21-9-13)15(3-1)14-7-19-20(8-14)17-11-23-12-18-17/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyMOVMUKIUWJLEQM-UHFFFAOYSA-N
XLogP3.41
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[5-Fluoro-2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole
CID 154771684
4-Methyl-2-[4-[[2-[6-(5-methylpyrazol-1-yl)-2-pyridinyl]phenoxy]methyl]phenyl]-1,3-thiazole
CID 91312331
4-(2-Methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
CID 141265233
N-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 173044826
2-[4-[[4-Propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
CID 46980897
2-N-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626634
2-N-[[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627389

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole (CID 136571987) is 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole is c1ccc(-c2cnn(-c3cscn3)c2)c(OCC2CCOC2)c1.
What is the InChIKey of 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
The InChIKey is MOVMUKIUWJLEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-4-16(22-10-13-5-6-21-9-13)15(3-1)14-7-19-20(8-14)17-11-23-12-18-17/h1-4,7-8,11-13H,5-6,9-10H2.
What are the key properties of 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole?
4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(oxolan-3-ylmethoxy)phenyl]pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 136571987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).