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

C10H8FN3OS — CID 71258656

IUPAC5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)cc2)nsc1N
InChIInChI=1S/C10H8FN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyHPJOZGGRJVLUSG-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.63
Rot. Bonds2

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

5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide (PubChem CID 71258656) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide
PubChem CID71258656
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)cc2)nsc1N
InChIInChI=1S/C10H8FN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyHPJOZGGRJVLUSG-UHFFFAOYSA-N
XLogP1.63
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2804329
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5-Amino-3-(3-nitrophenyl)isothiazole-4-carboxamide
CID 86689231
5-Amino-3-(3-aminophenyl)isothiazole-4-carboxamide
CID 86689233
4-Amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638907
1-[4-Amino-3-(4-fluorophenyl)-5-isothiazolyl]ethanone
CID 1214805
3-(3-Trifluoromethylphenyl)-4-amino-5-isothiazolecarboxamide
CID 13073260
3-(alpha,alpha,alpha-Trifluoro-m-Tolyl)-4-Isothiazolecarboxamide
CID 23465073
1-[3-(4-Ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide (CID 71258656) is 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide is NC(=O)c1c(-c2ccc(F)cc2)nsc1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is HPJOZGGRJVLUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15).
What are the key properties of 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide?
5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71258656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).