N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H10FN3OS2 — CID 55057585

IUPACN-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C12H10FN3OS2/c1-6-10(19-5-15-6)12(17)16-7-2-3-9(13)8(4-7)11(14)18/h2-5H,1H3,(H2,14,18)(H,16,17)
InChIKeyIRKWUEUTHQRCAE-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.48
Rot. Bonds3

About N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55057585) has the molecular formula C12H10FN3OS2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55057585
Molecular FormulaC12H10FN3OS2
Molecular Weight295.36 g/mol
Exact Mass295.02
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(C(N)=S)c1
InChIInChI=1S/C12H10FN3OS2/c1-6-10(19-5-15-6)12(17)16-7-2-3-9(13)8(4-7)11(14)18/h2-5H,1H3,(H2,14,18)(H,16,17)
InChIKeyIRKWUEUTHQRCAE-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-(3-carbamothioyl-4-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204324
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(3-carbamothioyl-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 55057681
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 55057585) is N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(F)c(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IRKWUEUTHQRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS2/c1-6-10(19-5-15-6)12(17)16-7-2-3-9(13)8(4-7)11(14)18/h2-5H,1H3,(H2,14,18)(H,16,17).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55057585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).