2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H12FN3OS — CID 79049476

IUPAC2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C12H12FN3OS/c1-6-3-8(13)5-9(4-6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyJFWOYONVKKIVRN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.73
Rot. Bonds2

About 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 79049476) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID79049476
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C12H12FN3OS/c1-6-3-8(13)5-9(4-6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyJFWOYONVKKIVRN-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
CID 107641671
2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114222286
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63021221
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152885
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
4-amino-2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116671107
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 79049476) is 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(F)cc(NC(=O)c2sc(N)nc2C)c1.
What is the InChIKey of 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JFWOYONVKKIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-6-3-8(13)5-9(4-6)16-11(17)10-7(2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79049476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).