2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

C15H15N3OS — CID 28732154

IUPAC2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCOCCn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C15H15N3OS/c1-19-9-8-18-7-5-14(17-18)12-3-2-4-13(11-12)15-16-6-10-20-15/h2-7,10-11H,8-9H2,1H3
InChIKeyLLSYWZMHPBJCGI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 28732154) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID28732154
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCOCCn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C15H15N3OS/c1-19-9-8-18-7-5-14(17-18)12-3-2-4-13(11-12)15-16-6-10-20-15/h2-7,10-11H,8-9H2,1H3
InChIKeyLLSYWZMHPBJCGI-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984
2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 29219201
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87044600
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
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CID 110372127
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
CID 11684541
2-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]-6-methylpyridine-3-carbonitrile
CID 29184468
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (CID 28732154) is 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is COCCn1ccc(-c2cccc(-c3nccs3)c2)n1.
What is the InChIKey of 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is LLSYWZMHPBJCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-9-8-18-7-5-14(17-18)12-3-2-4-13(11-12)15-16-6-10-20-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 285.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 28732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).