1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H10INOS — CID 114979460

IUPAC1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccc(I)cc2)cs1
InChIInChI=1S/C12H10INOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyJWUFFGRPGSCZSF-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 114979460) has the molecular formula C12H10INOS and a molecular weight of 343.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID114979460
Molecular FormulaC12H10INOS
Molecular Weight343.19 g/mol
Exact Mass342.95
IUPAC Name1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2ccc(I)cc2)cs1
InChIInChI=1S/C12H10INOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyJWUFFGRPGSCZSF-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 62799661
1-(4-butoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108782
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979375
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116609921
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62797724
1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107512597

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 114979460) is 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2ccc(I)cc2)cs1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JWUFFGRPGSCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INOS/c1-8-14-11(7-16-8)6-12(15)9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 343.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 114979460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).