2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole

C19H19N5OS — CID 29254276

IUPAC2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCOCCn1cncc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C19H19N5OS/c1-25-9-8-23-14-20-12-17(23)13-24-7-5-18(22-24)15-3-2-4-16(11-15)19-21-6-10-26-19/h2-7,10-12,14H,8-9,13H2,1H3
InChIKeyCBDHXGABMKCPFK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.56
Rot. Bonds7

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

2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 29254276) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID29254276
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCOCCn1cncc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C19H19N5OS/c1-25-9-8-23-14-20-12-17(23)13-24-7-5-18(22-24)15-3-2-4-16(11-15)19-21-6-10-26-19/h2-7,10-12,14H,8-9,13H2,1H3
InChIKeyCBDHXGABMKCPFK-UHFFFAOYSA-N
XLogP3.56
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole (CID 29254276) is 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole is COCCn1cncc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1.
What is the InChIKey of 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is CBDHXGABMKCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-25-9-8-23-14-20-12-17(23)13-24-7-5-18(22-24)15-3-2-4-16(11-15)19-21-6-10-26-19/h2-7,10-12,14H,8-9,13H2,1H3.
What are the key properties of 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 365.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 29254276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).