N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide

C15H17FN4O2S — CID 86856078

IUPACN-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2csc(C)n2)c1
InChIInChI=1S/C15H17FN4O2S/c1-9(21)17-11-4-5-13(16)14(6-11)19-15(22)20(3)7-12-8-23-10(2)18-12/h4-6,8H,7H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyWTZDBXDRUQHUHI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.21
Rot. Bonds4

About N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide

N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide (PubChem CID 86856078) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
PubChem CID86856078
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2csc(C)n2)c1
InChIInChI=1S/C15H17FN4O2S/c1-9(21)17-11-4-5-13(16)14(6-11)19-15(22)20(3)7-12-8-23-10(2)18-12/h4-6,8H,7H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyWTZDBXDRUQHUHI-UHFFFAOYSA-N
XLogP3.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856111
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
3-(2-chlorophenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47278023
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
methyl 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856106
3-(2,5-dimethoxyphenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856033
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353
(2-methyl-1,3-thiazol-4-yl)methyl 5-acetamido-2-fluorobenzoate
CID 154775171
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
2-(2-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718185
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide (CID 86856078) is N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2csc(C)n2)c1.
What is the InChIKey of N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide?
The InChIKey is WTZDBXDRUQHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-9(21)17-11-4-5-13(16)14(6-11)19-15(22)20(3)7-12-8-23-10(2)18-12/h4-6,8H,7H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide?
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 86856078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).