4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole

C18H17FN2S — CID 67536812

IUPAC4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cc(-c2sc(C(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C18H17FN2S/c1-11(2)18-21-16(13-4-6-15(19)7-5-13)17(22-18)14-8-9-20-12(3)10-14/h4-11H,1-3H3
InChIKeyYAVMDXIGYZXRES-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.44
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole

4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 67536812) has the molecular formula C18H17FN2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole
PubChem CID67536812
Molecular FormulaC18H17FN2S
Molecular Weight312.41 g/mol
Exact Mass312.11
IUPAC Name4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cc(-c2sc(C(C)C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C18H17FN2S/c1-11(2)18-21-16(13-4-6-15(19)7-5-13)17(22-18)14-8-9-20-12(3)10-14/h4-11H,1-3H3
InChIKeyYAVMDXIGYZXRES-UHFFFAOYSA-N
XLogP5.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole (CID 67536812) is 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole is Cc1cc(-c2sc(C(C)C)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is YAVMDXIGYZXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2S/c1-11(2)18-21-16(13-4-6-15(19)7-5-13)17(22-18)14-8-9-20-12(3)10-14/h4-11H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole?
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 312.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 67536812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).