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

C17H22FN3OS — CID 119719234

IUPAC7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c18-14-7-5-6-13(10-14)11-15-12-20-17(23-15)21-16(22)8-3-1-2-4-9-19/h5-7,10,12H,1-4,8-9,11,19H2,(H,20,21,22)
InChIKeyRSIBVVGPIRGCJC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.72
Rot. Bonds9

About 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide

7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide (PubChem CID 119719234) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
PubChem CID119719234
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c18-14-7-5-6-13(10-14)11-15-12-20-17(23-15)21-16(22)8-3-1-2-4-9-19/h5-7,10,12H,1-4,8-9,11,19H2,(H,20,21,22)
InChIKeyRSIBVVGPIRGCJC-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 39220628
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
N-[4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 42353957
4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119295773
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39220859
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167327072
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide (CID 119719234) is 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide is NCCCCCCC(=O)Nc1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide?
The InChIKey is RSIBVVGPIRGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c18-14-7-5-6-13(10-14)11-15-12-20-17(23-15)21-16(22)8-3-1-2-4-9-19/h5-7,10,12H,1-4,8-9,11,19H2,(H,20,21,22).
What are the key properties of 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide?
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide has a molecular weight of 335.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide is sourced from PubChem (CID 119719234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).