4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide

C15H17FN4O2S — CID 84589657

IUPAC4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide
SMILESCN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cscn2)c1
InChIInChI=1S/C15H17FN4O2S/c1-20(2)14(21)10-3-4-12(16)13(7-10)19-15(22)17-6-5-11-8-23-9-18-11/h3-4,7-9H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUHYZVVGVZFYHOD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.35
Rot. Bonds5

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

4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide (PubChem CID 84589657) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide
PubChem CID84589657
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide
SMILESCN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cscn2)c1
InChIInChI=1S/C15H17FN4O2S/c1-20(2)14(21)10-3-4-12(16)13(7-10)19-15(22)17-6-5-11-8-23-9-18-11/h3-4,7-9H,5-6H2,1-2H3,(H2,17,19,22)
InChIKeyUHYZVVGVZFYHOD-UHFFFAOYSA-N
XLogP2.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
CID 71973858
N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668
4-methyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825750
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
3-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 55260097
(3R)-N,N,4-trimethyl-3-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 95561268
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 75432219
4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide
CID 48798148

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide (CID 84589657) is 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide is CN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cscn2)c1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide?
The InChIKey is UHYZVVGVZFYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-20(2)14(21)10-3-4-12(16)13(7-10)19-15(22)17-6-5-11-8-23-9-18-11/h3-4,7-9H,5-6H2,1-2H3,(H2,17,19,22).
What are the key properties of 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide?
4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 84589657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).