2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide

C11H10IN3OS — CID 12686359

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc(I)cc2)cs1
InChIInChI=1S/C11H10IN3OS/c12-7-1-3-8(4-2-7)14-10(16)5-9-6-17-11(13)15-9/h1-4,6H,5H2,(H2,13,15)(H,14,16)
InChIKeyVQBJTMFPPUOWFH-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide (PubChem CID 12686359) has the molecular formula C11H10IN3OS and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
PubChem CID12686359
Molecular FormulaC11H10IN3OS
Molecular Weight359.19 g/mol
Exact Mass358.96
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc(I)cc2)cs1
InChIInChI=1S/C11H10IN3OS/c12-7-1-3-8(4-2-7)14-10(16)5-9-6-17-11(13)15-9/h1-4,6H,5H2,(H2,13,15)(H,14,16)
InChIKeyVQBJTMFPPUOWFH-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.51
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-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 62797826
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(3-methylbutyl)phenyl]acetamide
CID 167218752
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(2-amino-1,3-thiazol-4-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 62797643
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide (CID 12686359) is 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide is Nc1nc(CC(=O)Nc2ccc(I)cc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is VQBJTMFPPUOWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3OS/c12-7-1-3-8(4-2-7)14-10(16)5-9-6-17-11(13)15-9/h1-4,6H,5H2,(H2,13,15)(H,14,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 359.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 12686359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).