2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole

C23H25FN2OS — CID 161491044

IUPAC2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3ccc(OCC4CCCCC4)c(F)c3)n2)cn1
InChIInChI=1S/C23H25FN2OS/c1-16-7-9-19(13-25-16)21-15-28-23(26-21)12-18-8-10-22(20(24)11-18)27-14-17-5-3-2-4-6-17/h7-11,13,15,17H,2-6,12,14H2,1H3
InChIKeyWFPNBVUHIOYTMQ-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.20
Rot. Bonds6

About 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole

2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 161491044) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID161491044
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Name2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3ccc(OCC4CCCCC4)c(F)c3)n2)cn1
InChIInChI=1S/C23H25FN2OS/c1-16-7-9-19(13-25-16)21-15-28-23(26-21)12-18-8-10-22(20(24)11-18)27-14-17-5-3-2-4-6-17/h7-11,13,15,17H,2-6,12,14H2,1H3
InChIKeyWFPNBVUHIOYTMQ-UHFFFAOYSA-N
XLogP6.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole (CID 161491044) is 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole is Cc1ccc(-c2csc(Cc3ccc(OCC4CCCCC4)c(F)c3)n2)cn1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is WFPNBVUHIOYTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-16-7-9-19(13-25-16)21-15-28-23(26-21)12-18-8-10-22(20(24)11-18)27-14-17-5-3-2-4-6-17/h7-11,13,15,17H,2-6,12,14H2,1H3.
What are the key properties of 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole?
2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 396.53 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethoxy)-3-fluorophenyl]methyl]-4-(6-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 161491044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).