N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide

C16H19FN2OS2 — CID 16899799

IUPACN-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2OS2/c1-2-3-8-18-15(20)9-14-11-22-16(19-14)21-10-12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyCSEXBSLYCHJFHM-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.03
Rot. Bonds8

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

N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16899799) has the molecular formula C16H19FN2OS2 and a molecular weight of 338.47 g/mol. Its IUPAC name is N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16899799
Molecular FormulaC16H19FN2OS2
Molecular Weight338.47 g/mol
Exact Mass338.09
IUPAC NameN-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2OS2/c1-2-3-8-18-15(20)9-14-11-22-16(19-14)21-10-12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyCSEXBSLYCHJFHM-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.03
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

2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16899801
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900058
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900065
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 50952020
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-pentylacetamide
CID 16898725
2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 16899915

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (CID 16899799) is N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is CCCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1.
What is the InChIKey of N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CSEXBSLYCHJFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS2/c1-2-3-8-18-15(20)9-14-11-22-16(19-14)21-10-12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,20).
What are the key properties of N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 338.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).