4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C21H22N2OS — CID 118709519

IUPAC4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCC4CC4)cc3)cs2)ccn1
InChIInChI=1S/C21H22N2OS/c1-2-3-18-12-17(10-11-22-18)21-23-20(14-25-21)16-6-8-19(9-7-16)24-13-15-4-5-15/h6-12,14-15H,2-5,13H2,1H3
InChIKeyKAQHVZKGINQJNF-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.61
Rot. Bonds7

About 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709519) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709519
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCC4CC4)cc3)cs2)ccn1
InChIInChI=1S/C21H22N2OS/c1-2-3-18-12-17(10-11-22-18)21-23-20(14-25-21)16-6-8-19(9-7-16)24-13-15-4-5-15/h6-12,14-15H,2-5,13H2,1H3
InChIKeyKAQHVZKGINQJNF-UHFFFAOYSA-N
XLogP5.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709519) is 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(OCC4CC4)cc3)cs2)ccn1.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is KAQHVZKGINQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-3-18-12-17(10-11-22-18)21-23-20(14-25-21)16-6-8-19(9-7-16)24-13-15-4-5-15/h6-12,14-15H,2-5,13H2,1H3.
What are the key properties of 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 350.49 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).