4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C17H14FN3OS2 — CID 4090310

IUPAC4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S
InChIInChI=1S/C17H14FN3OS2/c1-10-4-2-3-5-13(10)21-15(19)14(24-17(21)23)16(22)20-12-8-6-11(18)7-9-12/h2-9H,19H2,1H3,(H,20,22)
InChIKeyOUFJXSHEYJWTNR-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.55
Rot. Bonds3

About 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 4090310) has the molecular formula C17H14FN3OS2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID4090310
Molecular FormulaC17H14FN3OS2
Molecular Weight359.45 g/mol
Exact Mass359.06
IUPAC Name4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S
InChIInChI=1S/C17H14FN3OS2/c1-10-4-2-3-5-13(10)21-15(19)14(24-17(21)23)16(22)20-12-8-6-11(18)7-9-12/h2-9H,19H2,1H3,(H,20,22)
InChIKeyOUFJXSHEYJWTNR-UHFFFAOYSA-N
XLogP4.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 786721
N-(3-{[(4-fluoroanilino)carbothioyl]amino}-4-methylphenyl)acetamide
CID 2796883
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
3,5-diphenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 2860217
Piperidine, 1-((4-amino-2,3-dihydro-3-(4-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-
CID 2187510
3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752653
4-Amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 660533
2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 806776
4-amino-N-ethyl-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 1545965
5-(4-methylphenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 3121403
4-amino-3-(2-fluoro-5-methylphenyl)-N-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 4073188
4-amino-3-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-2-sulfanylidene-5-thiazolecarboxamide
CID 4112347

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 4090310) is 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S.
What is the InChIKey of 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is OUFJXSHEYJWTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS2/c1-10-4-2-3-5-13(10)21-15(19)14(24-17(21)23)16(22)20-12-8-6-11(18)7-9-12/h2-9H,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluorophenyl)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4090310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).