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

C16H19FN2O2S — CID 24638570

IUPACN-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-4-10(2)18-16(20)15-11(3)19-14(22-15)9-21-13-7-5-12(17)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,20)
InChIKeyBONZACGWWISOMP-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.70
Rot. Bonds6

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

N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24638570) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24638570
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC NameN-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C16H19FN2O2S/c1-4-10(2)18-16(20)15-11(3)19-14(22-15)9-21-13-7-5-12(17)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,20)
InChIKeyBONZACGWWISOMP-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24638570) is N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BONZACGWWISOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-4-10(2)18-16(20)15-11(3)19-14(22-15)9-21-13-7-5-12(17)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24638570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).