2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole

C20H19N5S — CID 31054404

IUPAC2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2ccc(-c3cccc(-c4nc(C)cnc4C)c3)n2)n1
InChIInChI=1S/C20H19N5S/c1-13-10-21-15(3)20(23-13)17-6-4-5-16(9-17)18-7-8-25(24-18)11-19-22-14(2)12-26-19/h4-10,12H,11H2,1-3H3
InChIKeyUHMOHVBQVXZLJT-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.44
Rot. Bonds4

About 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole

2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 31054404) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID31054404
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2ccc(-c3cccc(-c4nc(C)cnc4C)c3)n2)n1
InChIInChI=1S/C20H19N5S/c1-13-10-21-15(3)20(23-13)17-6-4-5-16(9-17)18-7-8-25(24-18)11-19-22-14(2)12-26-19/h4-10,12H,11H2,1-3H3
InChIKeyUHMOHVBQVXZLJT-UHFFFAOYSA-N
XLogP4.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
US10377753, Example 130
CID 124175977
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
Dihydropyrrolopyrazole, 11
CID 9947683
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
2-[3-Methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
CID 56918678

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole (CID 31054404) is 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1csc(Cn2ccc(-c3cccc(-c4nc(C)cnc4C)c3)n2)n1.
What is the InChIKey of 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is UHMOHVBQVXZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-13-10-21-15(3)20(23-13)17-6-4-5-16(9-17)18-7-8-25(24-18)11-19-22-14(2)12-26-19/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole?
2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 361.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 31054404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).