2-(4-iodophenoxy)-4-methyl-1,3-thiazole

C10H8INOS — CID 61400116

IUPAC2-(4-iodophenoxy)-4-methyl-1,3-thiazole
SMILESCc1csc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C10H8INOS/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyDAJDBBANWPTNOT-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.85
Rot. Bonds2

About 2-(4-iodophenoxy)-4-methyl-1,3-thiazole

2-(4-iodophenoxy)-4-methyl-1,3-thiazole (PubChem CID 61400116) has the molecular formula C10H8INOS and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-iodophenoxy)-4-methyl-1,3-thiazole
PubChem CID61400116
Molecular FormulaC10H8INOS
Molecular Weight317.15 g/mol
Exact Mass316.94
IUPAC Name2-(4-iodophenoxy)-4-methyl-1,3-thiazole
SMILESCc1csc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C10H8INOS/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyDAJDBBANWPTNOT-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.85
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-(4-chlorophenoxy)-4-methyl-1,3-thiazole
CID 117189244
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43364015
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43173770
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
(4-methyl-1,3-thiazol-2-yl) formate
CID 123312036
2-(2-fluorophenoxy)-4-methyl-1,3-thiazole
CID 117189207
2-(4-iodophenoxy)-4-methylpyrimidine
CID 62958901
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
CID 114448087
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
4-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylaniline
CID 79399921

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-iodophenoxy)-4-methyl-1,3-thiazole (CID 61400116) is 2-(4-iodophenoxy)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-iodophenoxy)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-iodophenoxy)-4-methyl-1,3-thiazole is Cc1csc(Oc2ccc(I)cc2)n1.
What is the InChIKey of 2-(4-iodophenoxy)-4-methyl-1,3-thiazole?
The InChIKey is DAJDBBANWPTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INOS/c1-7-6-14-10(12-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3.
What are the key properties of 2-(4-iodophenoxy)-4-methyl-1,3-thiazole?
2-(4-iodophenoxy)-4-methyl-1,3-thiazole has a molecular weight of 317.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-4-methyl-1,3-thiazole is sourced from PubChem (CID 61400116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).