2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C16H18FN3O2S — CID 5079917

IUPAC2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCc1cnc(NC(=O)CN(C(=O)c2ccccc2F)C(C)C)s1
InChIInChI=1S/C16H18FN3O2S/c1-10(2)20(15(22)12-6-4-5-7-13(12)17)9-14(21)19-16-18-8-11(3)23-16/h4-8,10H,9H2,1-3H3,(H,18,19,21)
InChIKeyLSQDXSHTVDCTQH-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.08
Rot. Bonds5

About 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 5079917) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID5079917
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCc1cnc(NC(=O)CN(C(=O)c2ccccc2F)C(C)C)s1
InChIInChI=1S/C16H18FN3O2S/c1-10(2)20(15(22)12-6-4-5-7-13(12)17)9-14(21)19-16-18-8-11(3)23-16/h4-8,10H,9H2,1-3H3,(H,18,19,21)
InChIKeyLSQDXSHTVDCTQH-UHFFFAOYSA-N
XLogP3.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
2-chloro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 4668277
4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4186691
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-propan-2-ylbenzamide
CID 1059749
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
N-butan-2-yl-4-hexyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 42663876
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 810032
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4583830
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 5079917) is 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is Cc1cnc(NC(=O)CN(C(=O)c2ccccc2F)C(C)C)s1.
What is the InChIKey of 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is LSQDXSHTVDCTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-10(2)20(15(22)12-6-4-5-7-13(12)17)9-14(21)19-16-18-8-11(3)23-16/h4-8,10H,9H2,1-3H3,(H,18,19,21).
What are the key properties of 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 335.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 5079917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).