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

C11H10FN3OS — CID 55119460

IUPAC2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(N)n2)ccc1F
InChIInChI=1S/C11H10FN3OS/c1-6-4-7(2-3-8(6)12)14-10(16)9-5-17-11(13)15-9/h2-5H,1H3,(H2,13,15)(H,14,16)
InChIKeyQEEBSMMWEFHKCK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.43
Rot. Bonds2

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

2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55119460) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55119460
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(N)n2)ccc1F
InChIInChI=1S/C11H10FN3OS/c1-6-4-7(2-3-8(6)12)14-10(16)9-5-17-11(13)15-9/h2-5H,1H3,(H2,13,15)(H,14,16)
InChIKeyQEEBSMMWEFHKCK-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788200
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 55119460) is 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(N)n2)ccc1F.
What is the InChIKey of 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QEEBSMMWEFHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6-4-7(2-3-8(6)12)14-10(16)9-5-17-11(13)15-9/h2-5H,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.43, 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-3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55119460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).