2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide

C11H10IN3OS — CID 88855816

IUPAC2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(I)c1NC(=O)c1cnc(N)s1
InChIInChI=1S/C11H10IN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
InChIKeyNQUWMLUDCUGQML-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 88855816) has the molecular formula C11H10IN3OS and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID88855816
Molecular FormulaC11H10IN3OS
Molecular Weight359.19 g/mol
Exact Mass358.96
IUPAC Name2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(I)c1NC(=O)c1cnc(N)s1
InChIInChI=1S/C11H10IN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)
InChIKeyNQUWMLUDCUGQML-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.89
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

2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21137618
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 141271011
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
CID 144756148
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid
CID 90258431
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide (CID 88855816) is 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(I)c1NC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NQUWMLUDCUGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88855816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).