N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C18H17FN2OS3 — CID 27895338

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C18H17FN2OS3/c19-13-4-6-15(7-5-13)23-10-2-8-20-17(22)11-14-12-25-18(21-14)16-3-1-9-24-16/h1,3-7,9,12H,2,8,10-11H2,(H,20,22)
InChIKeyVNKMWAGAAQUKTH-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.85
Rot. Bonds8

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

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 27895338) has the molecular formula C18H17FN2OS3 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID27895338
Molecular FormulaC18H17FN2OS3
Molecular Weight392.55 g/mol
Exact Mass392.05
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C18H17FN2OS3/c19-13-4-6-15(7-5-13)23-10-2-8-20-17(22)11-14-12-25-18(21-14)16-3-1-9-24-16/h1,3-7,9,12H,2,8,10-11H2,(H,20,22)
InChIKeyVNKMWAGAAQUKTH-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107832419
4-hydroxy-N-[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzamide
CID 60517349
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
2-(aminomethyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119683965
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 32835792
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
2-(4-fluorophenyl)sulfanyl-N-[5-(2-pyridin-4-yl-1,3-thiazol-4-yl)pentyl]acetamide
CID 58757056

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 27895338) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VNKMWAGAAQUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS3/c19-13-4-6-15(7-5-13)23-10-2-8-20-17(22)11-14-12-25-18(21-14)16-3-1-9-24-16/h1,3-7,9,12H,2,8,10-11H2,(H,20,22).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 27895338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).