4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide

C14H14FN3O2S — CID 24805188

IUPAC4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)Nc1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O2S/c1-3-12(19)16-11-8-21-14(17-11)18(2)13(20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyMHWOCBLNVFMHNT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.91
Rot. Bonds4

About 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide

4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide (PubChem CID 24805188) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide
PubChem CID24805188
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)Nc1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O2S/c1-3-12(19)16-11-8-21-14(17-11)18(2)13(20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyMHWOCBLNVFMHNT-UHFFFAOYSA-N
XLogP2.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide (CID 24805188) is 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide is CCC(=O)Nc1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MHWOCBLNVFMHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-3-12(19)16-11-8-21-14(17-11)18(2)13(20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,19).
What are the key properties of 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24805188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).