4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol

C17H23NO2S — CID 61487425

IUPAC4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
SMILESCCCc1nc(COc2ccc(CCC(C)O)cc2)cs1
InChIInChI=1S/C17H23NO2S/c1-3-4-17-18-15(12-21-17)11-20-16-9-7-14(8-10-16)6-5-13(2)19/h7-10,12-13,19H,3-6,11H2,1-2H3
InChIKeyOCQVMSPWGRNGDD-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.99
Rot. Bonds8

About 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol

4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol (PubChem CID 61487425) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
PubChem CID61487425
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
SMILESCCCc1nc(COc2ccc(CCC(C)O)cc2)cs1
InChIInChI=1S/C17H23NO2S/c1-3-4-17-18-15(12-21-17)11-20-16-9-7-14(8-10-16)6-5-13(2)19/h7-10,12-13,19H,3-6,11H2,1-2H3
InChIKeyOCQVMSPWGRNGDD-UHFFFAOYSA-N
XLogP3.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol (CID 61487425) is 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol is CCCc1nc(COc2ccc(CCC(C)O)cc2)cs1.
What is the InChIKey of 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol?
The InChIKey is OCQVMSPWGRNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-4-17-18-15(12-21-17)11-20-16-9-7-14(8-10-16)6-5-13(2)19/h7-10,12-13,19H,3-6,11H2,1-2H3.
What are the key properties of 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol?
4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 61487425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).