2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide

C16H20FN3OS — CID 119297267

IUPAC2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1nc(C)c(Cc2ccccc2F)s1
InChIInChI=1S/C16H20FN3OS/c1-3-6-13(18)15(21)20-16-19-10(2)14(22-16)9-11-7-4-5-8-12(11)17/h4-5,7-8,13H,3,6,9,18H2,1-2H3,(H,19,20,21)
InChIKeyUSVKJWDXWJAPAO-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.25
Rot. Bonds6

About 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide

2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 119297267) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
PubChem CID119297267
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1nc(C)c(Cc2ccccc2F)s1
InChIInChI=1S/C16H20FN3OS/c1-3-6-13(18)15(21)20-16-19-10(2)14(22-16)9-11-7-4-5-8-12(11)17/h4-5,7-8,13H,3,6,9,18H2,1-2H3,(H,19,20,21)
InChIKeyUSVKJWDXWJAPAO-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 112846123
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71938657
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
(2S,5R)-5-(aminomethyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788767
ethyl 3-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 52699326

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide (CID 119297267) is 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide is CCCC(N)C(=O)Nc1nc(C)c(Cc2ccccc2F)s1.
What is the InChIKey of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is USVKJWDXWJAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-3-6-13(18)15(21)20-16-19-10(2)14(22-16)9-11-7-4-5-8-12(11)17/h4-5,7-8,13H,3,6,9,18H2,1-2H3,(H,19,20,21).
What are the key properties of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 321.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 119297267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).