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

C19H16N4S — CID 29258917

IUPAC2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCc1cnccc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C19H16N4S/c1-14-12-20-7-5-17(14)13-23-9-6-18(22-23)15-3-2-4-16(11-15)19-21-8-10-24-19/h2-12H,13H2,1H3
InChIKeyZLAARWRXXIOBTB-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.43
Rot. Bonds4

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

2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 29258917) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID29258917
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESCc1cnccc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C19H16N4S/c1-14-12-20-7-5-17(14)13-23-9-6-18(22-23)15-3-2-4-16(11-15)19-21-8-10-24-19/h2-12H,13H2,1H3
InChIKeyZLAARWRXXIOBTB-UHFFFAOYSA-N
XLogP4.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole (CID 29258917) is 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole is Cc1cnccc1Cn1ccc(-c2cccc(-c3nccs3)c2)n1.
What is the InChIKey of 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is ZLAARWRXXIOBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-14-12-20-7-5-17(14)13-23-9-6-18(22-23)15-3-2-4-16(11-15)19-21-8-10-24-19/h2-12H,13H2,1H3.
What are the key properties of 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole?
2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 332.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 29258917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).