N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C12H12FN3OS2 — CID 43304111

IUPACN-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2ccc(F)cc2N)cs1
InChIInChI=1S/C12H12FN3OS2/c1-7(17)15-12-16-9(6-19-12)5-18-11-3-2-8(13)4-10(11)14/h2-4,6H,5,14H2,1H3,(H,15,16,17)
InChIKeyLPCASQIMUUTPLF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.12
Rot. Bonds4

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

N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43304111) has the molecular formula C12H12FN3OS2 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43304111
Molecular FormulaC12H12FN3OS2
Molecular Weight297.38 g/mol
Exact Mass297.04
IUPAC NameN-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2ccc(F)cc2N)cs1
InChIInChI=1S/C12H12FN3OS2/c1-7(17)15-12-16-9(6-19-12)5-18-11-3-2-8(13)4-10(11)14/h2-4,6H,5,14H2,1H3,(H,15,16,17)
InChIKeyLPCASQIMUUTPLF-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-amino-3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 79140742
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79147621
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
7-[(2-amino-4-fluorophenyl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 43304115
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 86788063
N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 66233966
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 37078187
methyl 2-[2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8837204
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 43304111) is N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSc2ccc(F)cc2N)cs1.
What is the InChIKey of N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LPCASQIMUUTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS2/c1-7(17)15-12-16-9(6-19-12)5-18-11-3-2-8(13)4-10(11)14/h2-4,6H,5,14H2,1H3,(H,15,16,17).
What are the key properties of N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43304111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).