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

C12H12FIN4OS — CID 116671148

IUPAC4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc(F)cc2I)s1
InChIInChI=1S/C12H12FIN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-4-3-6(13)5-7(8)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyWASNZENZSQLWKS-UHFFFAOYSA-N
MW406.22 g/mol
LogP2.79
Rot. Bonds3

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

4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671148) has the molecular formula C12H12FIN4OS and a molecular weight of 406.22 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
PubChem CID116671148
Molecular FormulaC12H12FIN4OS
Molecular Weight406.22 g/mol
Exact Mass405.98
IUPAC Name4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc(F)cc2I)s1
InChIInChI=1S/C12H12FIN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-4-3-6(13)5-7(8)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyWASNZENZSQLWKS-UHFFFAOYSA-N
XLogP2.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
4-amino-N-[(2,4-difluorophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116665288
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 79761881
4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238
4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116668450
4-amino-N-(5-fluoro-2-methylphenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668663

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide (CID 116671148) is 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2ccc(F)cc2I)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WASNZENZSQLWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-4-3-6(13)5-7(8)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 406.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).