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

C11H9FIN3OS — CID 79766278

IUPAC2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H9FIN3OS/c1-5-9(18-11(14)15-5)10(17)16-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H2,14,15)(H,16,17)
InChIKeyFNBHYHCQSCMQGQ-UHFFFAOYSA-N
MW377.18 g/mol
LogP3.03
Rot. Bonds2

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

2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 79766278) has the molecular formula C11H9FIN3OS and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID79766278
Molecular FormulaC11H9FIN3OS
Molecular Weight377.18 g/mol
Exact Mass376.95
IUPAC Name2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C11H9FIN3OS/c1-5-9(18-11(14)15-5)10(17)16-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H2,14,15)(H,16,17)
InChIKeyFNBHYHCQSCMQGQ-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-fluorobenzoate
CID 62793074
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
CID 107641671
2-amino-N-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91971342
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 79761881
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 79766278) is 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FNBHYHCQSCMQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3OS/c1-5-9(18-11(14)15-5)10(17)16-8-3-2-6(12)4-7(8)13/h2-4H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79766278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).