4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile

C18H15N3OS — CID 103597381

IUPAC4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCC(C)Oc1cc(-c2nc(-c3ccc(C#N)cc3)cs2)ccn1
InChIInChI=1S/C18H15N3OS/c1-12(2)22-17-9-15(7-8-20-17)18-21-16(11-23-18)14-5-3-13(10-19)4-6-14/h3-9,11-12H,1-2H3
InChIKeyNIZUCYYROKSWIT-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.53
Rot. Bonds4

About 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 103597381) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID103597381
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESCC(C)Oc1cc(-c2nc(-c3ccc(C#N)cc3)cs2)ccn1
InChIInChI=1S/C18H15N3OS/c1-12(2)22-17-9-15(7-8-20-17)18-21-16(11-23-18)14-5-3-13(10-19)4-6-14/h3-9,11-12H,1-2H3
InChIKeyNIZUCYYROKSWIT-UHFFFAOYSA-N
XLogP4.53
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
CID 103597382
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
4-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63379357
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
CID 117001819
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
CID 103597594
4-[2-(propan-2-yldiazenyl)-1,3-thiazol-4-yl]benzonitrile
CID 123990633
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
2-(2-propan-2-yloxy-4-pyridinyl)-1,3-oxazole
CID 123773885
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-[2-[4-(ethylaminomethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
CID 154070935

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile (CID 103597381) is 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is CC(C)Oc1cc(-c2nc(-c3ccc(C#N)cc3)cs2)ccn1.
What is the InChIKey of 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is NIZUCYYROKSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12(2)22-17-9-15(7-8-20-17)18-21-16(11-23-18)14-5-3-13(10-19)4-6-14/h3-9,11-12H,1-2H3.
What are the key properties of 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 321.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 103597381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).