N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide

C15H18FN3OS — CID 133372919

IUPACN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3OS/c1-11(20)17-8-3-9-19(2)15-18-14(10-21-15)12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyIQZBMTKCZCJFHK-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.91
Rot. Bonds6

About N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide

N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide (PubChem CID 133372919) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
PubChem CID133372919
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC NameN-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FN3OS/c1-11(20)17-8-3-9-19(2)15-18-14(10-21-15)12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyIQZBMTKCZCJFHK-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]propanoic acid
CID 23879499
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-methylbenzoyl)amino]propyl-dimethylazanium
CID 7130234
methyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 69105970
4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 43034291
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide?
The IUPAC name of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide (CID 133372919) is N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide is CC(=O)NCCCN(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide?
The InChIKey is IQZBMTKCZCJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-11(20)17-8-3-9-19(2)15-18-14(10-21-15)12-4-6-13(16)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide?
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide is sourced from PubChem (CID 133372919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).