2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C15H17FN2O2S — CID 24624864

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)C
InChIInChI=1S/C15H17FN2O2S/c1-9(2)17-15(19)14-10(3)18-13(21-14)8-20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyBCBSUIBPINCEES-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.31
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 24624864) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID24624864
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)C
InChIInChI=1S/C15H17FN2O2S/c1-9(2)17-15(19)14-10(3)18-13(21-14)8-20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyBCBSUIBPINCEES-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 24624864) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BCBSUIBPINCEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9(2)17-15(19)14-10(3)18-13(21-14)8-20-12-6-4-11(16)5-7-12/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24624864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).