N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide

C16H20FN3OS — CID 71986790

IUPACN-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide
SMILESCc1csc(C(C)(C)NCCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3OS/c1-11-10-22-15(19-11)16(2,3)18-9-8-14(21)20-13-6-4-12(17)5-7-13/h4-7,10,18H,8-9H2,1-3H3,(H,20,21)
InChIKeyJTBGDOINSHOBGG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.44
Rot. Bonds6

About N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide

N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide (PubChem CID 71986790) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide
PubChem CID71986790
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC NameN-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide
SMILESCc1csc(C(C)(C)NCCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3OS/c1-11-10-22-15(19-11)16(2,3)18-9-8-14(21)20-13-6-4-12(17)5-7-13/h4-7,10,18H,8-9H2,1-3H3,(H,20,21)
InChIKeyJTBGDOINSHOBGG-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
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CID 71869006
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
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N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide (CID 71986790) is N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide is Cc1csc(C(C)(C)NCCC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide?
The InChIKey is JTBGDOINSHOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-11-10-22-15(19-11)16(2,3)18-9-8-14(21)20-13-6-4-12(17)5-7-13/h4-7,10,18H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide?
N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide is sourced from PubChem (CID 71986790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).