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

C10H8IN3OS — CID 16658117

IUPAC2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1cccc(I)c1
InChIInChI=1S/C10H8IN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14)
InChIKeyKIEHPLGZGHVIKH-UHFFFAOYSA-N
MW345.17 g/mol
LogP2.10
Rot. Bonds2

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

2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16658117) has the molecular formula C10H8IN3OS and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide
PubChem CID16658117
Molecular FormulaC10H8IN3OS
Molecular Weight345.17 g/mol
Exact Mass344.94
IUPAC Name2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1cccc(I)c1
InChIInChI=1S/C10H8IN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14)
InChIKeyKIEHPLGZGHVIKH-UHFFFAOYSA-N
XLogP2.10
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide (CID 16658117) is 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N)nc1-c1cccc(I)c1.
What is the InChIKey of 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KIEHPLGZGHVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14).
What are the key properties of 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide?
2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-iodophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16658117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).