4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C18H18N2OS — CID 7680155

IUPAC4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3cccc(OC)c3)cs2)ccn1
InChIInChI=1S/C18H18N2OS/c1-3-5-15-10-14(8-9-19-15)18-20-17(12-22-18)13-6-4-7-16(11-13)21-2/h4,6-12H,3,5H2,1-2H3
InChIKeyUBPWKUGAPZVWQE-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.83
Rot. Bonds5

About 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 7680155) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID7680155
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3cccc(OC)c3)cs2)ccn1
InChIInChI=1S/C18H18N2OS/c1-3-5-15-10-14(8-9-19-15)18-20-17(12-22-18)13-6-4-7-16(11-13)21-2/h4,6-12H,3,5H2,1-2H3
InChIKeyUBPWKUGAPZVWQE-UHFFFAOYSA-N
XLogP4.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 7680155) is 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3cccc(OC)c3)cs2)ccn1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is UBPWKUGAPZVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-5-15-10-14(8-9-19-15)18-20-17(12-22-18)13-6-4-7-16(11-13)21-2/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 310.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 7680155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).