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

C14H13N3S — CID 29150984

IUPAC2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
SMILESCCn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C14H13N3S/c1-2-17-8-6-13(16-17)11-4-3-5-12(10-11)14-15-7-9-18-14/h3-10H,2H2,1H3
InChIKeyNOIAAEVOIUOEGY-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.69
Rot. Bonds3

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

2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole (PubChem CID 29150984) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
PubChem CID29150984
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
SMILESCCn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C14H13N3S/c1-2-17-8-6-13(16-17)11-4-3-5-12(10-11)14-15-7-9-18-14/h3-10H,2H2,1H3
InChIKeyNOIAAEVOIUOEGY-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 28732154
2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 29219201
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
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
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 68897783
1-ethyl-3-(4-ethylphenyl)pyrazole
CID 70954966
2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole (CID 29150984) is 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole is CCn1ccc(-c2cccc(-c3nccs3)c2)n1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole?
The InChIKey is NOIAAEVOIUOEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-17-8-6-13(16-17)11-4-3-5-12(10-11)14-15-7-9-18-14/h3-10H,2H2,1H3.
What are the key properties of 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole?
2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 29150984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).