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

C10H7FIN3OS — CID 122522212

IUPAC5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc(I)ccc2F)sc1N
InChIInChI=1S/C10H7FIN3OS/c11-6-2-1-4(12)3-5(6)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyDXOCSSZUZOSSIY-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.23
Rot. Bonds2

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

5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 122522212) has the molecular formula C10H7FIN3OS and a molecular weight of 363.16 g/mol. Its IUPAC name is 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide
PubChem CID122522212
Molecular FormulaC10H7FIN3OS
Molecular Weight363.16 g/mol
Exact Mass362.93
IUPAC Name5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cc(I)ccc2F)sc1N
InChIInChI=1S/C10H7FIN3OS/c11-6-2-1-4(12)3-5(6)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16)
InChIKeyDXOCSSZUZOSSIY-UHFFFAOYSA-N
XLogP2.23
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.23
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-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
2-(2,4-Difluorophenyl)thiazole-4-carboxamide
CID 2737060
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
2-(3-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733035
5-methyl-2-[4-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733029
2-Phenyl-1,3-thiazole-4,5-dicarboxamide
CID 345662
1-(5-Azido-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 11746861
5-Azido-2-phenyl-1,3-thiazole-4-carbaldehyde
CID 15415019
2-Phenylthiazole-4-carboxamide
CID 22072641
(m-Fluoro-phenyl)-4-thiazole carboxamide hydrochloride
CID 129711480
4-(3-Fluorophenyl)-1,3-thiazole-2-carboxamide
CID 19375910

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide (CID 122522212) is 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cc(I)ccc2F)sc1N.
What is the InChIKey of 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DXOCSSZUZOSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN3OS/c11-6-2-1-4(12)3-5(6)10-15-7(8(13)16)9(14)17-10/h1-3H,14H2,(H2,13,16).
What are the key properties of 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 363.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-fluoro-5-iodophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122522212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).