2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole

C17H19N3OS — CID 2327975

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N3OS/c1-12-10-13(2)20(19-12)9-8-17-18-16(11-22-17)14-4-6-15(21-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJEFKGPGWVUONSR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 2327975) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID2327975
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N3OS/c1-12-10-13(2)20(19-12)9-8-17-18-16(11-22-17)14-4-6-15(21-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJEFKGPGWVUONSR-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-{3-[(4-Methoxyphenyl)methyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595981
5-{3-[(1r)-1-(4-Methoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595984
5-{3-[1-(4-Methoxyphenyl)cyclopropyl]-1h-Pyrazol-5-Yl}-2,4-Dimethyl-1,3-Thiazole
CID 121595986
methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 2422550
Cyp4A11/cyp4F2-IN-1
CID 86214066
5-[5-[(1S)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
CID 162650590
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2-(ethylthio)ethyl)-1H-pyrrol-2-yl)-
CID 3063495
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
4-(3,4-Dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2328847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 2327975) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is JEFKGPGWVUONSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-10-13(2)20(19-12)9-8-17-18-16(11-22-17)14-4-6-15(21-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2327975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).