2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C14H13FN4O3S — CID 167837528

IUPAC2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CNc2cc3oc(=O)[nH]c3cc2F)cs1
InChIInChI=1S/C14H13FN4O3S/c1-16-12(20)4-13-18-7(6-23-13)5-17-9-3-11-10(2-8(9)15)19-14(21)22-11/h2-3,6,17H,4-5H2,1H3,(H,16,20)(H,19,21)
InChIKeyYGWWUMRFVUZNPD-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 167837528) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID167837528
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC Name2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CNc2cc3oc(=O)[nH]c3cc2F)cs1
InChIInChI=1S/C14H13FN4O3S/c1-16-12(20)4-13-18-7(6-23-13)5-17-9-3-11-10(2-8(9)15)19-14(21)22-11/h2-3,6,17H,4-5H2,1H3,(H,16,20)(H,19,21)
InChIKeyYGWWUMRFVUZNPD-UHFFFAOYSA-N
XLogP1.62
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 167837528) is 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc(CNc2cc3oc(=O)[nH]c3cc2F)cs1.
What is the InChIKey of 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is YGWWUMRFVUZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3S/c1-16-12(20)4-13-18-7(6-23-13)5-17-9-3-11-10(2-8(9)15)19-14(21)22-11/h2-3,6,17H,4-5H2,1H3,(H,16,20)(H,19,21).
What are the key properties of 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 336.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-fluoro-2-oxo-3H-1,3-benzoxazol-6-yl)amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 167837528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).