2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide

C11H7F4N3OS — CID 107641671

IUPAC2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H7F4N3OS/c1-3-9(20-11(16)17-3)10(19)18-8-6(14)4(12)2-5(13)7(8)15/h2H,1H3,(H2,16,17)(H,18,19)
InChIKeyAYRCKNYRWQQORC-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.84
Rot. Bonds2

About 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 107641671) has the molecular formula C11H7F4N3OS and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID107641671
Molecular FormulaC11H7F4N3OS
Molecular Weight305.26 g/mol
Exact Mass305.02
IUPAC Name2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H7F4N3OS/c1-3-9(20-11(16)17-3)10(19)18-8-6(14)4(12)2-5(13)7(8)15/h2H,1H3,(H2,16,17)(H,18,19)
InChIKeyAYRCKNYRWQQORC-UHFFFAOYSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
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
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-fluorobenzoate
CID 62793074
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114387542

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide (CID 107641671) is 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AYRCKNYRWQQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3OS/c1-3-9(20-11(16)17-3)10(19)18-8-6(14)4(12)2-5(13)7(8)15/h2H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107641671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).