(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone

C9H6INO2S2 — CID 130593330

IUPAC(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone
SMILESCOc1ncc(C(=O)c2sccc2I)s1
InChIInChI=1S/C9H6INO2S2/c1-13-9-11-4-6(15-9)7(12)8-5(10)2-3-14-8/h2-4H,1H3
InChIKeyVMUPURGCRUCWRV-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.05
Rot. Bonds3

About (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone

(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone (PubChem CID 130593330) has the molecular formula C9H6INO2S2 and a molecular weight of 351.19 g/mol. Its IUPAC name is (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone
PubChem CID130593330
Molecular FormulaC9H6INO2S2
Molecular Weight351.19 g/mol
Exact Mass350.89
IUPAC Name(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone
SMILESCOc1ncc(C(=O)c2sccc2I)s1
InChIInChI=1S/C9H6INO2S2/c1-13-9-11-4-6(15-9)7(12)8-5(10)2-3-14-8/h2-4H,1H3
InChIKeyVMUPURGCRUCWRV-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-1,3-thiazol-5-yl)-pyridin-2-ylmethanone
CID 130593048
(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
CID 130576016
2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
CID 131090488
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 130576160
(4-bromo-1-methylpyrazol-5-yl)-(3-iodothiophen-2-yl)methanone
CID 130576559
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 86847514
tert-butyl 2-chloro-1,3-thiazole-5-carboxylate;2-methoxy-1,3-thiazole-5-carboxylic acid
CID 158791708
2-methoxy-1,3-thiazol-5-ol
CID 130658802
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 130624005
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683

Frequently Asked Questions

What is the IUPAC name of (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone (CID 130593330) is (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone is COc1ncc(C(=O)c2sccc2I)s1.
What is the InChIKey of (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone?
The InChIKey is VMUPURGCRUCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO2S2/c1-13-9-11-4-6(15-9)7(12)8-5(10)2-3-14-8/h2-4H,1H3.
What are the key properties of (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone?
(3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone has a molecular weight of 351.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodothiophen-2-yl)-(2-methoxy-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 130593330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).