2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole

C20H20N2S — CID 91570843

IUPAC2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cnccc3C3CCCC3)n2)cc1
InChIInChI=1S/C20H20N2S/c1-14-6-8-16(9-7-14)19-13-23-20(22-19)18-12-21-11-10-17(18)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3
InChIKeyLKUFAGDEHDPGBT-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.84
Rot. Bonds3

About 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole

2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 91570843) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
PubChem CID91570843
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3cnccc3C3CCCC3)n2)cc1
InChIInChI=1S/C20H20N2S/c1-14-6-8-16(9-7-14)19-13-23-20(22-19)18-12-21-11-10-17(18)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3
InChIKeyLKUFAGDEHDPGBT-UHFFFAOYSA-N
XLogP5.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 91215676
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
CID 91281047
4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 70037330
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
CID 22049680
2-(3-cyclohexyloxy-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazole
CID 142900158
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
CID 22049722
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
3-cycloheptyl-4-methylpyridine
CID 146408954

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole (CID 91570843) is 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3cnccc3C3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is LKUFAGDEHDPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-14-6-8-16(9-7-14)19-13-23-20(22-19)18-12-21-11-10-17(18)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3.
What are the key properties of 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole?
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 320.46 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 91570843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).